[(2R)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: [(1R)-2-[4-(dimethylamino)anilino]-1-methyl-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [(1R)-2-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl] ester Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C17H18ClN3O3/c1-11(24-17(23)14-5-4-10-19-15(14)18)16(22)20-12-6-8-13(9-7-12)21(2)3/h4-11H,1-3H3,(H,20,22)/t11-/m1/s1