(2R)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoate

Systemtic Name: (2R)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoate Openeye Name: (2R)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoate CAS Name: (2R)-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methylpropanoate IUPAC Name: (2R)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanoate Traditional Name: (2R)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propionate Formula: C9H12N3O4- MolecularWeight: 226.20928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[C@@H](C)C(=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C9H13N3O4/c1-5(9(13)14)4-11-7(3)8(12(15)16)6(2)10-11/h5H,4H2,1-3H3,(H,13,14)/p-1/t5-/m1/s1