methyl 4-[(2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-quinolin-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-quinolin-3-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(1-allyl-2-hydroxy-4-oxo-quinoline-3-carbonyl)amino]benzoate CAS Name: 4-[[(2-hydroxy-4-oxo-1-prop-2-enyl-3-quinolinyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-hydroxy-4-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]benzoate Traditional Name: 4-[(1-allyl-2-hydroxy-4-keto-quinoline-3-carbonyl)amino]benzoic acid methyl ester Formula: C21H18N2O5 MolecularWeight: 378.37802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC=C)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC=C)O

InChI

InChI=1S/C21H18N2O5/c1-3-12-23-16-7-5-4-6-15(16)18(24)17(20(23)26)19(25)22-14-10-8-13(9-11-14)21(27)28-2/h3-11,26H,1,12H2,2H3,(H,22,25)