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

Systemtic Name: 3-[5-[(Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]-4-methyl-benzoic acid Openeye Name: 3-[5-[(Z)-2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]-2-furyl]-4-methyl-benzoic acid CAS Name: 3-[5-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-furanyl]-4-methylbenzoic acid IUPAC Name: 3-[5-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]-4-methylbenzoic acid Traditional Name: 3-[5-[(Z)-2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]-2-furyl]-4-methyl-benzoic acid Formula: C23H18N2O4 MolecularWeight: 386.40002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)/C(=C\C2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)C)/C#N

InChI

InChI=1S/C23H18N2O4/c1-14-4-3-5-18(10-14)25-22(26)17(13-24)11-19-8-9-21(29-19)20-12-16(23(27)28)7-6-15(20)2/h3-12H,1-2H3,(H,25,26)(H,27,28)/b17-11-