2-methoxy-4-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzoic acid

Systemtic Name: 2-methoxy-4-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzoic acid Openeye Name: 2-methoxy-4-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzoic acid CAS Name: 2-methoxy-4-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzoic acid IUPAC Name: 2-methoxy-4-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzoic acid Traditional Name: 4-(6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)-2-methoxy-benzoic acid Formula: C21H16N2O4 MolecularWeight: 360.36274

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=CC=CC=C4N3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=CC=CC=C4N3)C(=O)O

InChI

InChI=1S/C21H16N2O4/c1-27-19-11-13(7-9-15(19)21(25)26)12-6-8-14-18(10-12)22-16-4-2-3-5-17(16)23-20(14)24/h2-11,22H,1H3,(H,23,24)(H,25,26)