[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanylnaphthalene-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanylnaphthalene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 1-hydroxynaphthalene-2-carboxylate CAS Name: 1-hydroxy-2-naphthalenecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate Traditional Name: 1-hydroxynaphthalene-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H18N2O4 MolecularWeight: 374.38932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C(C3=CC=CC=C3C=C2)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C(C3=CC=CC=C3C=C2)O

InChI

InChI=1S/C22H18N2O4/c23-13-6-14-24(17-8-2-1-3-9-17)20(25)15-28-22(27)19-12-11-16-7-4-5-10-18(16)21(19)26/h1-5,7-12,26H,6,14-15H2