6-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(3-ethoxy-4-hydroxy-5-nitrophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(3-ethoxy-4-hydroxy-5-nitrophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2

InChI

InChI=1S/C27H25N3O5/c1-2-35-24-15-18(13-22(27(24)32)30(33)34)26-25-21(28-19-10-6-7-11-20(19)29-26)12-17(14-23(25)31)16-8-4-3-5-9-16/h3-11,13,15,17,26,28-29,32H,2,12,14H2,1H3