[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)pyridine-4-carboxylate

Systemtic Name: [2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)pyridine-4-carboxylate Openeye Name: [2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl] 2-(dimethylamino)pyridine-4-carboxylate CAS Name: 2-(dimethylamino)-4-pyridinecarboxylic acid [2-(4-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(dimethylamino)pyridine-4-carboxylate Traditional Name: 2-(dimethylamino)isonicotinic acid [2-(4-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)C2=CC(=NC=C2)N(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)C2=CC(=NC=C2)N(C)C

InChI

InChI=1S/C17H18ClN3O3/c1-11-8-13(18)4-5-14(11)20-16(22)10-24-17(23)12-6-7-19-15(9-12)21(2)3/h4-9H,10H2,1-3H3,(H,20,22)