[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C21H18N4O3/c1-15-3-6-17(7-4-15)25(12-2-9-22)20(26)14-28-21(27)16-5-8-18-19(13-16)24-11-10-23-18/h3-8,10-11,13H,2,12,14H2,1H3