N-[9-(3-methoxy-4-nitro-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]ethanamide

Systemtic Name: N-[9-(3-methoxy-4-nitro-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]ethanamide Openeye Name: N-[9-(3-methoxy-4-nitro-phenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]acetamide CAS Name: N-[9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]acetamide IUPAC Name: N-[9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]acetamide Traditional Name: N-[6-keto-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]acetamide Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)NC3=C(C=CC(=C3)C4=CC(=C(C=C4)[N+](=O)[O-])OC)C(=O)N2

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)NC3=C(C=CC(=C3)C4=CC(=C(C=C4)[N+](=O)[O-])OC)C(=O)N2

InChI

InChI=1S/C22H18N4O5/c1-12(27)23-15-5-7-17-19(11-15)25-22(28)16-6-3-13(9-18(16)24-17)14-4-8-20(26(29)30)21(10-14)31-2/h3-11,24H,1-2H3,(H,23,27)(H,25,28)