[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3/c1-14-5-7-16(8-6-14)21(11-3-9-19)17(22)13-24-18(23)15-4-2-10-20-12-15/h2,4-8,10,12H,3,11,13H2,1H3