ethyl (Z)-3-(4-chlorophenyl)-2-[(1-methyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)carbonyl]prop-2-enoate

Systemtic Name: ethyl (Z)-3-(4-chlorophenyl)-2-[(1-methyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)carbonyl]prop-2-enoate Openeye Name: ethyl (Z)-3-(4-chlorophenyl)-2-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-carbonyl)prop-2-enoate CAS Name: (Z)-3-(4-chlorophenyl)-2-[(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)-oxomethyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-(4-chlorophenyl)-2-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-carbonyl)prop-2-enoate Traditional Name: (Z)-3-(4-chlorophenyl)-2-(2-hydroxy-4-keto-1-methyl-3H-quinolin-1-ium-3-carbonyl)acrylic acid ethyl ester Formula: C22H19ClNO5+ MolecularWeight: 412.84296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)Cl)C(=O)C2C(=O)C3=CC=CC=C3[N+](=C2O)C

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=C(C=C1)Cl)/C(=O)C2C(=O)C3=CC=CC=C3[N+](=C2O)C

InChI

InChI=1S/C22H18ClNO5/c1-3-29-22(28)16(12-13-8-10-14(23)11-9-13)20(26)18-19(25)15-6-4-5-7-17(15)24(2)21(18)27/h4-12,18H,3H2,1-2H3/p+1/b16-12-