methyl (2S)-1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(2,5-dimethyl-4-nitropyrazole-3-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C12H16N4O5 MolecularWeight: 296.27924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCCC2C(=O)OC)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCC[C@H]2C(=O)OC)C

InChI

InChI=1S/C12H16N4O5/c1-7-9(16(19)20)10(14(2)13-7)11(17)15-6-4-5-8(15)12(18)21-3/h8H,4-6H2,1-3H3/t8-/m0/s1