2-[(Z)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 2-[(Z)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 2-[(Z)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 2-[(Z)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 2-[(Z)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 2-[(Z)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]benzoic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(/C#N)\C(=O)NCC2=CC=CO2)C(=O)O

InChI

InChI=1S/C16H12N2O4/c17-9-12(15(19)18-10-13-5-3-7-22-13)8-11-4-1-2-6-14(11)16(20)21/h1-8H,10H2,(H,18,19)(H,20,21)/b12-8-