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

Systemtic Name: 6-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(4-hydroxy-3-methoxy-5-nitro-phenyl)-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(4-hydroxy-3-methoxy-5-nitrophenyl)-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(4-hydroxy-3-methoxy-5-nitrophenyl)-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(4-hydroxy-3-methoxy-5-nitro-phenyl)-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C29H29N3O8 MolecularWeight: 547.55586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)OC)O)[N+](=O)[O-])C(=O)C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)OC)O)[N+](=O)[O-])C(=O)C2

InChI

InChI=1S/C29H29N3O8/c1-37-23-14-17(10-21(28(23)34)32(35)36)27-26-20(30-18-7-5-6-8-19(18)31-27)9-15(11-22(26)33)16-12-24(38-2)29(40-4)25(13-16)39-3/h5-8,10,12-15,27,30-31,34H,9,11H2,1-4H3