[6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-nitrobenzenesulfonate

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-nitrobenzenesulfonate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [6,7-bis(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6,7-bis(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C20H15N3O7S MolecularWeight: 441.414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])N5CC5

Isomeric SMILES

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])N5CC5

InChI

InChI=1S/C20H15N3O7S/c24-19-14-2-1-3-15(30-31(28,29)13-6-4-12(5-7-13)23(26)27)16(14)20(25)18(22-10-11-22)17(19)21-8-9-21/h1-7H,8-11H2