2-(3-methyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: 2-(3-methyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: 2-(3-methyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3-methyl-4-nitro-1-pyrazolyl)acetate IUPAC Name: 2-(3-methyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3-methyl-4-nitro-pyrazol-1-yl)acetate Formula: C6H6N3O4- MolecularWeight: 184.12954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1[N+](=O)[O-])CC(=O)[O-]

Isomeric SMILES

CC1=NN(C=C1[N+](=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C6H7N3O4/c1-4-5(9(12)13)2-8(7-4)3-6(10)11/h2H,3H2,1H3,(H,10,11)/p-1