[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-oxidanylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-oxidanylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H12N2O4 MolecularWeight: 248.23468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC(=C1)O)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C12H12N2O4/c13-5-2-6-14-11(16)8-18-12(17)9-3-1-4-10(15)7-9/h1,3-4,7,15H,2,6,8H2,(H,14,16)