ethyl 5-[(4-chloranyl-4-oxidanylidene-butyl)carbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[(4-chloranyl-4-oxidanylidene-butyl)carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[(4-chloro-4-oxo-butyl)carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[(4-chloro-4-oxobutyl)amino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chloro-4-oxobutyl)carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[(4-chloro-4-keto-butyl)carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C12H16ClN3O4 MolecularWeight: 301.72614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NCCCC(=O)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NCCCC(=O)Cl

InChI

InChI=1S/C12H16ClN3O4/c1-3-20-12(19)9-7-8(15-16(9)2)11(18)14-6-4-5-10(13)17/h7H,3-6H2,1-2H3,(H,14,18)