[2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(2-ethoxycarbonylanilino)-2-oxo-ethyl] 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [2-(2-ethoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(2-carbethoxyanilino)-2-keto-ethyl] ester Formula: C20H24ClN3O5 MolecularWeight: 421.87466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)OCC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)OCC)Cl

InChI

InChI=1S/C20H24ClN3O5/c1-4-6-11-24-18(21)17(13(3)23-24)20(27)29-12-16(25)22-15-10-8-7-9-14(15)19(26)28-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,22,25)