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

Systemtic Name: methyl 4-methyl-3-[3-(4-oxidanylidenecinnolin-1-yl)propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[3-(4-oxocinnolin-1-yl)propanoylamino]benzoate CAS Name: 4-methyl-3-[[1-oxo-3-(4-oxo-1-cinnolinyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[3-(4-oxocinnolin-1-yl)propanoylamino]benzoate Traditional Name: 3-[3-(4-ketocinnolin-1-yl)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C20H19N3O4/c1-13-7-8-14(20(26)27-2)11-16(13)22-19(25)9-10-23-17-6-4-3-5-15(17)18(24)12-21-23/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)