ethyl 5-(2-methylpropyl)-3-nitro-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-carboxylate

Systemtic Name: ethyl 5-(2-methylpropyl)-3-nitro-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-carboxylate Openeye Name: ethyl 6-benzyloxy-5-isobutyl-3-nitro-4-oxido-pyrazin-4-ium-2-carboxylate CAS Name: 5-(2-methylpropyl)-3-nitro-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-methylpropyl)-3-nitro-4-oxido-6-phenylmethoxypyrazin-4-ium-2-carboxylate Traditional Name: 6-benzoxy-5-isobutyl-3-nitro-4-oxido-pyrazin-4-ium-2-carboxylic acid ethyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C(C(=N1)OCC2=CC=CC=C2)CC(C)C)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C([N+](=C(C(=N1)OCC2=CC=CC=C2)CC(C)C)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6/c1-4-26-18(22)15-17(21(24)25)20(23)14(10-12(2)3)16(19-15)27-11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3