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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanylnaphthalene-2-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 1-hydroxynaphthalene-2-carboxylate CAS Name: 1-hydroxy-2-naphthalenecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate Traditional Name: 1-hydroxynaphthalene-2-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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