4-[(E)-3-[(3-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[(3-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(3-chloro-2-methyl-anilino)-2-cyano-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(3-chloro-2-methyl-anilino)-2-cyano-3-keto-prop-1-enyl]benzoic acid Formula: C18H13ClN2O3 MolecularWeight: 340.76042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C18H13ClN2O3/c1-11-15(19)3-2-4-16(11)21-17(22)14(10-20)9-12-5-7-13(8-6-12)18(23)24/h2-9H,1H3,(H,21,22)(H,23,24)/b14-9+