(2-oxidanylidene-2-phenylazanyl-ethyl) 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=CC=C2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=CC=C2)Cl

InChI

InChI=1S/C17H20ClN3O3/c1-3-4-10-21-16(18)15(12(2)20-21)17(23)24-11-14(22)19-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H,19,22)