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

Systemtic Name: 4-[(E)-3-[(3-chloranyl-4-methoxy-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(3-chloro-4-methoxy-anilino)-2-cyano-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(3-chloro-4-methoxyanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(3-chloro-4-methoxyanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(3-chloro-4-methoxy-anilino)-2-cyano-3-keto-prop-1-enyl]benzoic acid Formula: C18H13ClN2O4 MolecularWeight: 356.75982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N)Cl

InChI

InChI=1S/C18H13ClN2O4/c1-25-16-7-6-14(9-15(16)19)21-17(22)13(10-20)8-11-2-4-12(5-3-11)18(23)24/h2-9H,1H3,(H,21,22)(H,23,24)/b13-8+