methyl 1-(2-azanyl-2-oxidanylidene-ethyl)-1-methyl-4-nitro-pyrazol-1-ium-3-carboxylate

Systemtic Name: methyl 1-(2-azanyl-2-oxidanylidene-ethyl)-1-methyl-4-nitro-pyrazol-1-ium-3-carboxylate Openeye Name: methyl 1-(2-amino-2-oxo-ethyl)-1-methyl-4-nitro-pyrazol-1-ium-3-carboxylate CAS Name: 1-(2-amino-2-oxoethyl)-1-methyl-4-nitro-3-pyrazol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(2-amino-2-oxoethyl)-1-methyl-4-nitropyrazol-1-ium-3-carboxylate Traditional Name: 1-(2-amino-2-keto-ethyl)-1-methyl-4-nitro-pyrazol-1-ium-3-carboxylic acid methyl ester Formula: C8H11N4O5+ MolecularWeight: 243.19674

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C(=N1)C(=O)OC)[N+](=O)[O-])CC(=O)N

Isomeric SMILES

C[N+]1(C=C(C(=N1)C(=O)OC)[N+](=O)[O-])CC(=O)N

InChI

InChI=1S/C8H10N4O5/c1-12(4-6(9)13)3-5(11(15)16)7(10-12)8(14)17-2/h3H,4H2,1-2H3,(H-,9,13)/p+1