[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=CC=NN2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=CC=NN2

InChI

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