4-[5-[3-[(4-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[5-[3-[(4-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]-3-methyl-benzoic acid Openeye Name: 4-[5-[3-(4-chloroanilino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]-3-methyl-benzoic acid CAS Name: 4-[5-[3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]-3-methylbenzoic acid IUPAC Name: 4-[5-[3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-3-methylbenzoic acid Traditional Name: 4-[5-[3-(4-chloroanilino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]-3-methyl-benzoic acid Formula: C22H15ClN2O4 MolecularWeight: 406.8185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H15ClN2O4/c1-13-10-14(22(27)28)2-8-19(13)20-9-7-18(29-20)11-15(12-24)21(26)25-17-5-3-16(23)4-6-17/h2-11H,1H3,(H,25,26)(H,27,28)