[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenechromene-2-carboxylate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H15ClN2O5 MolecularWeight: 410.8072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)OCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)OCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H15ClN2O5/c22-14-5-3-6-15(11-14)24(10-4-9-23)20(26)13-28-21(27)19-12-17(25)16-7-1-2-8-18(16)29-19/h1-3,5-8,11-12H,4,10,13H2