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

Systemtic Name: 4-[5-[(E)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]-3-methyl-benzoic acid Openeye Name: 4-[5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxo-prop-1-enyl]-2-furyl]-3-methyl-benzoic acid CAS Name: 4-[5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-furanyl]-3-methylbenzoic acid IUPAC Name: 4-[5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]furan-2-yl]-3-methylbenzoic acid Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(p-anisidino)prop-1-enyl]-2-furyl]-3-methyl-benzoic acid Formula: C23H18N2O5 MolecularWeight: 402.39942

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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)OC

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)OC

InChI

InChI=1S/C23H18N2O5/c1-14-11-15(23(27)28)3-9-20(14)21-10-8-19(30-21)12-16(13-24)22(26)25-17-4-6-18(29-2)7-5-17/h3-12H,1-2H3,(H,25,26)(H,27,28)/b16-12+