3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoic acid

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoic acid Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoic acid CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methylpropanoic acid IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanoic acid Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propionic acid Formula: C9H13N3O4 MolecularWeight: 227.21722

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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(=NN1CC(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)