5-[4-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N3-[2-[2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethylamino]ethyl]-N1-[2-[3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propylamino]ethyl]benzene-1,3-dicarboxamide

Systemtic Name: 5-[4-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N3-[2-[2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethylamino]ethyl]-N1-[2-[3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propylamino]ethyl]benzene-1,3-dicarboxamide Openeye Name: 5-(4-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-N3-[2-[2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethylamino]ethyl]-N1-[2-[3-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)propylamino]ethyl]benzene-1,3-dicarboxamide CAS Name: 5-(4-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-N3-[2-[2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)ethylamino]ethyl]-N1-[2-[3-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)propylamino]ethyl]benzene-1,3-dicarboxamide IUPAC Name: 5-(4-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-3-N-[2-[2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]ethyl]-1-N-[2-[3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propylamino]ethyl]benzene-1,3-dicarboxamide Traditional Name: 5-(1,3-diketo-4-nitro-benzo[de]isoquinolin-2-yl)-N'-[2-[2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)ethylamino]ethyl]-N-[2-[3-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)propylamino]ethyl]isophthalamide Formula: C53H40N10O14 MolecularWeight: 1040.9433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=C(C=C2)[N+](=O)[O-])C4=CC(=CC(=C4)C(=O)NCCNCCN5C(=O)C6=CC=CC7=CC(=CC(=C76)C5=O)[N+](=O)[O-])C(=O)NCCNCCCN8C(=O)C9=CC=CC1=CC(=CC(=C19)C8=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=C(C=C2)[N+](=O)[O-])C4=CC(=CC(=C4)C(=O)NCCNCCN5C(=O)C6=CC=CC7=CC(=CC(=C76)C5=O)[N+](=O)[O-])C(=O)NCCNCCCN8C(=O)C9=CC=CC1=CC(=CC(=C19)C8=O)[N+](=O)[O-]

InChI

InChI=1S/C53H40N10O14/c64-46(56-16-14-54-13-4-19-58-48(66)36-8-2-6-29-22-34(61(72)73)26-39(42(29)36)50(58)68)31-21-32(25-33(24-31)60-52(70)38-10-1-5-28-11-12-41(63(76)77)45(44(28)38)53(60)71)47(65)57-17-15-55-18-20-59-49(67)37-9-3-7-30-23-35(62(74)75)27-40(43(30)37)51(59)69/h1-3,5-12,21-27,54-55H,4,13-20H2,(H,56,64)(H,57,65)