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

Systemtic Name: 4-[(E)-3-[(2-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(2-chloroanilino)-2-cyano-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(2-chloroanilino)-2-cyano-3-keto-prop-1-enyl]benzoic acid Formula: C17H11ClN2O3 MolecularWeight: 326.73384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N)Cl

InChI

InChI=1S/C17H11ClN2O3/c18-14-3-1-2-4-15(14)20-16(21)13(10-19)9-11-5-7-12(8-6-11)17(22)23/h1-9H,(H,20,21)(H,22,23)/b13-9+