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

Systemtic Name: 3-[5-[(Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 3-[5-[(Z)-2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 3-[5-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 3-[5-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 3-[5-[(Z)-2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]-2-furyl]-2-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/c1-14-5-3-6-17(11-14)25-22(26)16(13-24)12-18-9-10-21(29-18)19-7-4-8-20(15(19)2)23(27)28/h3-12H,1-2H3,(H,25,26)(H,27,28)/b16-12-