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

Systemtic Name: methyl 2-methoxy-4-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzoate Openeye Name: methyl 2-methoxy-4-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzoate CAS Name: 2-methoxy-4-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-4-(6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzoate Traditional Name: 4-(6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)-2-methoxy-benzoic acid methyl ester Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4/c1-27-20-12-14(8-10-16(20)22(26)28-2)13-7-9-15-19(11-13)23-17-5-3-4-6-18(17)24-21(15)25/h3-12,23H,1-2H3,(H,24,25)