[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenechromene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-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=CC(=O)C3=CC=CC=C3O2

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2

InChI

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