(2-azanyl-2-oxidanylidene-ethyl) 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)N)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N)Cl)C2=CC=CC=C2

InChI

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