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

Systemtic Name: 5-methyl-3-(2-methylpropyl)-1-(4-nitrophenyl)pyrazole-4-carboxylate Openeye Name: 3-isobutyl-5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylate CAS Name: 5-methyl-3-(2-methylpropyl)-1-(4-nitrophenyl)-4-pyrazolecarboxylate IUPAC Name: 5-methyl-3-(2-methylpropyl)-1-(4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 3-isobutyl-5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylate Formula: C15H16N3O4- MolecularWeight: 302.30524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])CC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])CC(C)C)C(=O)[O-]

InChI

InChI=1S/C15H17N3O4/c1-9(2)8-13-14(15(19)20)10(3)17(16-13)11-4-6-12(7-5-11)18(21)22/h4-7,9H,8H2,1-3H3,(H,19,20)/p-1