2-[6-[1-(4-nitrophenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]hexyl]isoindole-1,3-dione

Systemtic Name: 2-[6-[1-(4-nitrophenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]hexyl]isoindole-1,3-dione Openeye Name: 2-[6-[1-(4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]hexyl]isoindoline-1,3-dione CAS Name: 2-[6-[1-[(4-nitrophenyl)-oxomethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]hexyl]isoindole-1,3-dione IUPAC Name: 2-[6-[1-(4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]hexyl]isoindole-1,3-dione Traditional Name: 2-[6-[4-keto-1-(4-nitrobenzoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]hexyl]isoindoline-1,3-quinone Formula: C30H28N4O6 MolecularWeight: 540.56652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2N(C1=O)CCCCCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C2N(C1=O)CCCCCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H28N4O6/c35-27-17-20-32(28(36)21-13-15-22(16-14-21)34(39)40)26-12-6-5-11-25(26)31(27)18-7-1-2-8-19-33-29(37)23-9-3-4-10-24(23)30(33)38/h3-6,9-16H,1-2,7-8,17-20H2