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

Systemtic Name: methyl 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoate Openeye Name: methyl 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoate CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanoic acid methyl ester IUPAC Name: methyl 3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoate Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionic acid methyl ester Formula: C9H13N3O4 MolecularWeight: 227.21722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C9H13N3O4/c1-6-9(12(14)15)7(2)11(10-6)5-4-8(13)16-3/h4-5H2,1-3H3