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

Systemtic Name: 2-[9-(3-methoxy-4-nitro-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[9-(3-methoxy-4-nitro-phenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[6-keto-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]-N-(3-pyridylmethyl)acetamide Formula: C28H23N5O5 MolecularWeight: 509.51272

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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)NCC5=CN=CC=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)NCC5=CN=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H23N5O5/c1-38-26-14-20(6-9-25(26)33(36)37)19-5-7-21-23(13-19)31-22-8-4-17(11-24(22)32-28(21)35)12-27(34)30-16-18-3-2-10-29-15-18/h2-11,13-15,31H,12,16H2,1H3,(H,30,34)(H,32,35)