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

Systemtic Name: 5-[4-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N1,N3-bis[2-[2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethylamino]ethyl]benzene-1,3-dicarboxamide Openeye Name: 5-(4-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-N1,N3-bis[2-[2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethylamino]ethyl]benzene-1,3-dicarboxamide CAS Name: 5-(4-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-N1,N3-bis[2-[2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)ethylamino]ethyl]benzene-1,3-dicarboxamide IUPAC Name: 5-(4-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-1-N,3-N-bis[2-[2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]ethyl]benzene-1,3-dicarboxamide Traditional Name: 5-(1,3-diketo-4-nitro-benzo[de]isoquinolin-2-yl)-N,N'-bis[2-[2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)ethylamino]ethyl]isophthalamide Formula: C52H38N10O14 MolecularWeight: 1026.91672

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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)NCCNCCN8C(=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)NCCNCCN8C(=O)C9=CC=CC1=CC(=CC(=C19)C8=O)[N+](=O)[O-]

InChI

InChI=1S/C52H38N10O14/c63-45(55-14-12-53-16-18-57-47(65)35-7-2-5-28-21-33(60(71)72)25-38(41(28)35)49(57)67)30-20-31(24-32(23-30)59-51(69)37-9-1-4-27-10-11-40(62(75)76)44(43(27)37)52(59)70)46(64)56-15-13-54-17-19-58-48(66)36-8-3-6-29-22-34(61(73)74)26-39(42(29)36)50(58)68/h1-11,20-26,53-54H,12-19H2,(H,55,63)(H,56,64)