(2,6-dimethylphenyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (2,6-dimethylphenyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (2,6-dimethylphenyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (2,6-dimethylphenyl) ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H17N3O4/c1-9-6-5-7-10(2)15(9)22-13(19)8-17-12(4)14(18(20)21)11(3)16-17/h5-7H,8H2,1-4H3