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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Cl

InChI

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