(2-benzamido-2-oxidanylidene-ethyl) 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2)Cl)CC(C)C

InChI

InChI=1S/C18H20ClN3O4/c1-11(2)9-22-16(19)15(12(3)21-22)18(25)26-10-14(23)20-17(24)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,20,23,24)