2-[(3-aminocarbonyl-5-ethyl-4-nitro-pyrazol-1-yl)methyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[(3-aminocarbonyl-5-ethyl-4-nitro-pyrazol-1-yl)methyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[(3-carbamoyl-5-ethyl-4-nitro-pyrazol-1-yl)methyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[(3-carbamoyl-5-ethyl-4-nitro-1-pyrazolyl)methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[(3-carbamoyl-5-ethyl-4-nitropyrazol-1-yl)methyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[(3-carbamoyl-5-ethyl-4-nitro-pyrazol-1-yl)methyl]pyrrolidine-1-carboxylic acid Formula: C12H17N5O5 MolecularWeight: 311.29388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CC2CCCN2C(=O)O)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NN1CC2CCCN2C(=O)O)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H17N5O5/c1-2-8-10(17(21)22)9(11(13)18)14-16(8)6-7-4-3-5-15(7)12(19)20/h7H,2-6H2,1H3,(H2,13,18)(H,19,20)