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

Systemtic Name: (2,3,6-trimethylphenyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (2,3,6-trimethylphenyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (2,3,6-trimethylphenyl) ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-9-6-7-10(2)16(11(9)3)23-14(20)8-18-13(5)15(19(21)22)12(4)17-18/h6-7H,8H2,1-5H3