9-(3-methoxy-4-oxidanyl-phenyl)-1-oxidanyl-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 9-(3-methoxy-4-oxidanyl-phenyl)-1-oxidanyl-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 1-hydroxy-9-(4-hydroxy-3-methoxy-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 1-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 1-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 1-hydroxy-9-(4-hydroxy-3-methoxy-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C20H16N2O4 MolecularWeight: 348.35204

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)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C(=CC=C4)O)O

InChI

InChI=1S/C20H16N2O4/c1-26-18-10-12(6-8-16(18)23)11-5-7-13-15(9-11)21-19-14(22-20(13)25)3-2-4-17(19)24/h2-10,21,23-24H,1H3,(H,22,25)