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

Systemtic Name: (2S)-1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylpyrrolidine-2-carbaldehyde Openeye Name: (2S)-1-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)pyrrolidine-2-carbaldehyde CAS Name: (2S)-1-[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]-2-pyrrolidinecarboxaldehyde IUPAC Name: (2S)-1-(2,5-dimethyl-4-nitropyrazole-3-carbonyl)pyrrolidine-2-carbaldehyde Traditional Name: (2S)-1-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)pyrrolidine-2-carbaldehyde Formula: C11H14N4O4 MolecularWeight: 266.25326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O4/c1-7-9(15(18)19)10(13(2)12-7)11(17)14-5-3-4-8(14)6-16/h6,8H,3-5H2,1-2H3/t8-/m0/s1