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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoic acid Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoic acid CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanoic acid IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionic acid Formula: C8H11N3O4 MolecularWeight: 213.19064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N3O4/c1-4-7(11(14)15)5(2)10(9-4)6(3)8(12)13/h6H,1-3H3,(H,12,13)