[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanylnaphthalene-2-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C21H16N2O4/c22-10-9-14-5-7-17(8-6-14)23-20(25)13-27-21(26)18-11-15-3-1-2-4-16(15)12-19(18)24/h1-8,11-12,24H,9,13H2,(H,23,25)