methyl 3-[3-(4-oxidanylidenecinnolin-1-yl)propanoylamino]benzoate

Systemtic Name: methyl 3-[3-(4-oxidanylidenecinnolin-1-yl)propanoylamino]benzoate Openeye Name: methyl 3-[3-(4-oxocinnolin-1-yl)propanoylamino]benzoate CAS Name: 3-[[1-oxo-3-(4-oxo-1-cinnolinyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-oxocinnolin-1-yl)propanoylamino]benzoate Traditional Name: 3-[3-(4-ketocinnolin-1-yl)propanoylamino]benzoic acid methyl ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C19H17N3O4/c1-26-19(25)13-5-4-6-14(11-13)21-18(24)9-10-22-16-8-3-2-7-15(16)17(23)12-20-22/h2-8,11-12H,9-10H2,1H3,(H,21,24)