[(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: [(1S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [(2S)-1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [(1S)-2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl] ester Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)OC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C20H19ClN4O4/c1-12-16(19(27)25(24(12)3)14-8-5-4-6-9-14)23-18(26)13(2)29-20(28)15-10-7-11-22-17(15)21/h4-11,13H,1-3H3,(H,23,26)/t13-/m0/s1