2-[[(Z)-4-(1-methyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)-4-oxidanylidene-but-2-en-2-yl]amino]benzoic acid

Systemtic Name: 2-[[(Z)-4-(1-methyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)-4-oxidanylidene-but-2-en-2-yl]amino]benzoic acid Openeye Name: 2-[[(Z)-3-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)-1-methyl-3-oxo-prop-1-enyl]amino]benzoic acid CAS Name: 2-[[(Z)-4-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)-4-oxobut-2-en-2-yl]amino]benzoic acid IUPAC Name: 2-[[(Z)-4-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)-4-oxobut-2-en-2-yl]amino]benzoic acid Traditional Name: 2-[[(Z)-3-(2-hydroxy-4-keto-1-methyl-3H-quinolin-1-ium-3-yl)-3-keto-1-methyl-prop-1-enyl]amino]benzoic acid Formula: C21H19N2O5+ MolecularWeight: 379.38596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1C(=O)C2=CC=CC=C2[N+](=C1O)C)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C/C(=C/C(=O)C1C(=O)C2=CC=CC=C2[N+](=C1O)C)/NC3=CC=CC=C3C(=O)O

InChI

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