2-[3-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]-2-oxidanylidene-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]-2-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]-2-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]-2-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]-2-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-3-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]propyl]isoindoline-1,3-quinone Formula: C26H19N5O5 MolecularWeight: 481.45956

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3)NCC(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3)NCC(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H19N5O5/c32-18(15-30-25(33)19-8-4-5-9-20(19)26(30)34)13-27-23-14-28-24(16-6-2-1-3-7-16)21-12-17(31(35)36)10-11-22(21)29-23/h1-12H,13-15H2,(H,27,29)