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

Systemtic Name: (4-ethanoylphenyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (4-acetylphenyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (4-acetylphenyl) ester Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC2=CC=C(C=C2)C(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OC2=CC=C(C=C2)C(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O5/c1-9-15(18(21)22)10(2)17(16-9)8-14(20)23-13-6-4-12(5-7-13)11(3)19/h4-7H,8H2,1-3H3