2-[9-(3-methoxy-4-nitro-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]-N-quinolin-3-yl-ethanamide

Systemtic Name: 2-[9-(3-methoxy-4-nitro-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]-N-quinolin-3-yl-ethanamide Openeye Name: 2-[9-(3-methoxy-4-nitro-phenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]-N-(3-quinolyl)acetamide CAS Name: 2-[9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]-N-(3-quinolinyl)acetamide IUPAC Name: 2-[9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]-N-quinolin-3-ylacetamide Traditional Name: 2-[6-keto-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]-N-(3-quinolyl)acetamide Formula: C31H23N5O5 MolecularWeight: 545.54482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)CC(=O)NC5=CC6=CC=CC=C6N=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)CC(=O)NC5=CC6=CC=CC=C6N=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H23N5O5/c1-41-29-16-20(8-11-28(29)36(39)40)19-7-9-23-26(15-19)34-25-10-6-18(12-27(25)35-31(23)38)13-30(37)33-22-14-21-4-2-3-5-24(21)32-17-22/h2-12,14-17,34H,13H2,1H3,(H,33,37)(H,35,38)