(5-ethanoyl-2-methoxy-phenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6/c1-10-17(20(23)24)11(2)19(18-10)8-16(22)26-9-14-7-13(12(3)21)5-6-15(14)25-4/h5-7H,8-9H2,1-4H3