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

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-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-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C18H21Cl2N3O4 MolecularWeight: 414.28304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2N3O4/c1-4-5-8-23-17(20)16(11(2)22-23)18(25)27-10-15(24)21-12-6-7-14(26-3)13(19)9-12/h6-7,9H,4-5,8,10H2,1-3H3,(H,21,24)