3-(7,8-dimethoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)benzoic acid

Systemtic Name: 3-(7,8-dimethoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)benzoic acid Openeye Name: 3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzoic acid CAS Name: 3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzoic acid IUPAC Name: 3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzoic acid Traditional Name: 3-(2-keto-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-5-yl)benzoic acid Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C19H18N2O5/c1-21-14-9-16(26-3)15(25-2)8-13(14)18(20-10-17(21)22)11-5-4-6-12(7-11)19(23)24/h4-9H,10H2,1-3H3,(H,23,24)