methyl (2R)-2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonyl-3-(methylamino)but-3-enoate

Systemtic Name: methyl (2R)-2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonyl-3-(methylamino)but-3-enoate Openeye Name: methyl (2R)-2-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)-3-(methylamino)but-3-enoate CAS Name: (2R)-2-[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]-3-(methylamino)-3-butenoic acid methyl ester IUPAC Name: methyl (2R)-2-(2,5-dimethyl-4-nitropyrazole-3-carbonyl)-3-(methylamino)but-3-enoate Traditional Name: (2R)-2-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)-3-(methylamino)but-3-enoic acid methyl ester Formula: C12H16N4O5 MolecularWeight: 296.27924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O5/c1-6(13-3)8(12(18)21-5)11(17)10-9(16(19)20)7(2)14-15(10)4/h8,13H,1H2,2-5H3/t8-/m1/s1