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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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