[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H16N2O5/c22-11-6-12-23(16-8-2-1-3-9-16)19(24)14-27-20(25)17-13-15-7-4-5-10-18(15)28-21(17)26/h1-5,7-10,13H,6,12,14H2