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

Systemtic Name: 2-chloranyl-5-[5-[2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-5-[5-[2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 2-chloro-5-[5-[2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-5-[5-[2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-5-[5-[2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]-2-furyl]benzoic acid Formula: C22H15ClN2O4 MolecularWeight: 406.8185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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