(2-oxidanylidene-2-phenylazanyl-ethyl) 4-chloranyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-chloranyl-1-methyl-pyrazole-3-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 4-chloro-1-methyl-pyrazole-3-carboxylate CAS Name: 4-chloro-1-methyl-3-pyrazolecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-chloro-1-methylpyrazole-3-carboxylate Traditional Name: 4-chloro-1-methyl-pyrazole-3-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)OCC(=O)NC2=CC=CC=C2)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)OCC(=O)NC2=CC=CC=C2)Cl

InChI

InChI=1S/C13H12ClN3O3/c1-17-7-10(14)12(16-17)13(19)20-8-11(18)15-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,15,18)