[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenechromene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2)C

InChI

InChI=1S/C23H20N2O5/c1-15-10-16(2)12-17(11-15)25(9-5-8-24)22(27)14-29-23(28)21-13-19(26)18-6-3-4-7-20(18)30-21/h3-4,6-7,10-13H,5,9,14H2,1-2H3