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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O4/c23-13-18(21(25)24-14-15-5-2-1-3-6-15)12-19-9-10-20(28-19)16-7-4-8-17(11-16)22(26)27/h1-12H,14H2,(H,24,25)(H,26,27)