4-[[(E)-4-(1-methyl-2-oxidanidyl-4-oxidanylidene-quinolin-3-yl)-4-oxidanylidene-but-2-en-2-yl]amino]benzoate

Systemtic Name: 4-[[(E)-4-(1-methyl-2-oxidanidyl-4-oxidanylidene-quinolin-3-yl)-4-oxidanylidene-but-2-en-2-yl]amino]benzoate Openeye Name: 4-[[(E)-1-methyl-3-(1-methyl-2-oxido-4-oxo-3-quinolyl)-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 4-[[(E)-4-(1-methyl-2-oxido-4-oxo-3-quinolinyl)-4-oxobut-2-en-2-yl]amino]benzoate IUPAC Name: 4-[[(E)-4-(1-methyl-2-oxido-4-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]benzoate Traditional Name: 4-[[(E)-3-keto-3-(4-keto-1-methyl-2-oxido-3-quinolyl)-1-methyl-prop-1-enyl]amino]benzoate Formula: C21H16N2O5-2 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=C(N(C2=CC=CC=C2C1=O)C)[O-])NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C/C(=C\C(=O)C1=C(N(C2=CC=CC=C2C1=O)C)[O-])/NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H18N2O5/c1-12(22-14-9-7-13(8-10-14)21(27)28)11-17(24)18-19(25)15-5-3-4-6-16(15)23(2)20(18)26/h3-11,22,26H,1-2H3,(H,27,28)/p-2/b12-11+