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

Systemtic Name: 3-[5-[2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[2-cyano-3-(2-methylanilino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 3-[5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[2-cyano-3-keto-3-(o-toluidino)prop-1-enyl]-2-furyl]benzoic acid Formula: C22H16N2O4 MolecularWeight: 372.37344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C#N

InChI

InChI=1S/C22H16N2O4/c1-14-5-2-3-8-19(14)24-21(25)17(13-23)12-18-9-10-20(28-18)15-6-4-7-16(11-15)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)