1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]proline Formula: C12H16N4O5 MolecularWeight: 296.27924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCCC2C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCCC2C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O5/c1-7-11(16(20)21)8(2)15(13-7)6-10(17)14-5-3-4-9(14)12(18)19/h9H,3-6H2,1-2H3,(H,18,19)