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

Systemtic Name: methyl (2S)-1-(1,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-(1,5-dimethyl-4-nitro-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(1,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(1,5-dimethyl-4-nitropyrazole-3-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(1,5-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=C(C(=NN1C)C(=O)N2CCCC2C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)N2CCC[C@H]2C(=O)OC)[N+](=O)[O-]

InChI

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