(4-propan-2-ylphenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (4-isopropylphenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (4-isopropylbenzyl) ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-11(2)15-7-5-14(6-8-15)10-24-16(21)9-19-13(4)17(20(22)23)12(3)18-19/h5-8,11H,9-10H2,1-4H3