methyl 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]oxymethyl]benzoate CAS Name: 4-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]oxymethyl]benzoate Traditional Name: 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]oxymethyl]benzoic acid methyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O6/c1-10-15(19(22)23)11(2)18(17-10)8-14(20)25-9-12-4-6-13(7-5-12)16(21)24-3/h4-7H,8-9H2,1-3H3