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

Systemtic Name: (4-nitrophenyl)methyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid (4-nitrobenzyl) ester Formula: C16H18ClN3O4 MolecularWeight: 351.78482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl)CC(C)C

InChI

InChI=1S/C16H18ClN3O4/c1-10(2)8-19-15(17)14(11(3)18-19)16(21)24-9-12-4-6-13(7-5-12)20(22)23/h4-7,10H,8-9H2,1-3H3