[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=NN(C=C1OC)C2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=NN(C=C1OC)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O4/c1-12(2)9-18-15(21)11-24-17(22)16-14(23-3)10-20(19-16)13-7-5-4-6-8-13/h4-8,10,12H,9,11H2,1-3H3,(H,18,21)