(2-nitrophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoate

Systemtic Name: (2-nitrophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoate Openeye Name: (2-nitrophenyl)methyl 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetate CAS Name: 2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]acetic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate Traditional Name: 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetic acid (2-nitrobenzyl) ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CC(=O)OCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CC(=O)OCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4/c1-12(2)10-20-14(4)16(13(3)19-20)9-18(22)25-11-15-7-5-6-8-17(15)21(23)24/h5-8,12H,9-11H2,1-4H3