butyl 4-[6,7-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate

Systemtic Name: butyl 4-[6,7-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate Openeye Name: butyl 4-(6,7-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoate CAS Name: 4-(6,7-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid butyl ester IUPAC Name: butyl 4-(6,7-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate Traditional Name: 4-(1,3-diketo-6,7-dinitro-benzo[de]isoquinolin-2-yl)benzoic acid butyl ester Formula: C23H17N3O8 MolecularWeight: 463.39638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O

InChI

InChI=1S/C23H17N3O8/c1-2-3-12-34-23(29)13-4-6-14(7-5-13)24-21(27)15-8-10-17(25(30)31)20-18(26(32)33)11-9-16(19(15)20)22(24)28/h4-11H,2-3,12H2,1H3