[(3R)-3-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonyl-4-methoxy-4-oxidanylidene-but-1-en-2-yl]-methyl-azanium

Systemtic Name: [(3R)-3-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonyl-4-methoxy-4-oxidanylidene-but-1-en-2-yl]-methyl-azanium Openeye Name: [(2R)-2-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)-3-methoxy-1-methylene-3-oxo-propyl]-methyl-ammonium CAS Name: [(3R)-3-[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]-4-methoxy-4-oxobut-1-en-2-yl]-methylammonium IUPAC Name: [(3R)-3-(2,5-dimethyl-4-nitropyrazole-3-carbonyl)-4-methoxy-4-oxobut-1-en-2-yl]-methylazanium Traditional Name: 1-[(1R)-1-carbomethoxy-2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-2-keto-ethyl]vinyl-methyl-ammonium Formula: C12H17N4O5+ MolecularWeight: 297.28718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)C(C(=C)[NH2+]C)C(=O)OC)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)[C@@H](C(=C)[NH2+]C)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/p+1/t8-/m1/s1