methyl 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoate

Systemtic Name: methyl 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoate Openeye Name: methyl 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoate CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanoic acid methyl ester IUPAC Name: methyl 4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoate Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyric acid methyl ester Formula: C10H15N3O4 MolecularWeight: 241.2438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C10H15N3O4/c1-7-10(13(15)16)8(2)12(11-7)6-4-5-9(14)17-3/h4-6H2,1-3H3