[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 1,5-dimethylpyrazole-4-carboxylate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 1,5-dimethylpyrazole-4-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 1,5-dimethylpyrazole-4-carboxylate CAS Name: 1,5-dimethyl-4-pyrazolecarboxylic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate Traditional Name: 1,5-dimethylpyrazole-4-carboxylic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C13H13ClN4O3 MolecularWeight: 308.72032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=NN1C)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C13H13ClN4O3/c1-8-10(6-16-18(8)2)13(20)21-7-12(19)17-11-4-3-9(14)5-15-11/h3-6H,7H2,1-2H3,(H,15,17,19)