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

Systemtic Name: methyl 1-(2-azanyl-2-oxidanylidene-ethyl)-4-nitro-1-(pyridin-2-ylmethyl)pyrazol-1-ium-3-carboxylate Openeye Name: methyl 1-(2-amino-2-oxo-ethyl)-4-nitro-1-(2-pyridylmethyl)pyrazol-1-ium-3-carboxylate CAS Name: 1-(2-amino-2-oxoethyl)-4-nitro-1-(2-pyridinylmethyl)-3-pyrazol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(2-amino-2-oxoethyl)-4-nitro-1-(pyridin-2-ylmethyl)pyrazol-1-ium-3-carboxylate Traditional Name: 1-(2-amino-2-keto-ethyl)-4-nitro-1-(2-pyridylmethyl)pyrazol-1-ium-3-carboxylic acid methyl ester Formula: C13H14N5O5+ MolecularWeight: 320.28076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=N[N+](C=C1[N+](=O)[O-])(CC2=CC=CC=N2)CC(=O)N

Isomeric SMILES

COC(=O)C1=N[N+](C=C1[N+](=O)[O-])(CC2=CC=CC=N2)CC(=O)N

InChI

InChI=1S/C13H13N5O5/c1-23-13(20)12-10(17(21)22)7-18(16-12,8-11(14)19)6-9-4-2-3-5-15-9/h2-5,7H,6,8H2,1H3,(H-,14,19)/p+1