(4-methoxycarbonylphenyl)methyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C18H21ClN2O4 MolecularWeight: 364.82334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)C(=O)OC)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)C(=O)OC)Cl)CC(C)C

InChI

InChI=1S/C18H21ClN2O4/c1-11(2)9-21-16(19)15(12(3)20-21)18(23)25-10-13-5-7-14(8-6-13)17(22)24-4/h5-8,11H,9-10H2,1-4H3