methyl 2-ethyl-3-methyl-5-nitro-1-oxidanidyl-6-phenyl-pyridin-1-ium-4-carboxylate

Systemtic Name: methyl 2-ethyl-3-methyl-5-nitro-1-oxidanidyl-6-phenyl-pyridin-1-ium-4-carboxylate Openeye Name: methyl 2-ethyl-3-methyl-5-nitro-1-oxido-6-phenyl-pyridin-1-ium-4-carboxylate CAS Name: 2-ethyl-3-methyl-5-nitro-1-oxido-6-phenyl-4-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-3-methyl-5-nitro-1-oxido-6-phenylpyridin-1-ium-4-carboxylate Traditional Name: 2-ethyl-3-methyl-5-nitro-1-oxido-6-phenyl-pyridin-1-ium-4-carboxylic acid methyl ester Formula: C16H16N2O5 MolecularWeight: 316.30864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=C(C(=C1C)C(=O)OC)[N+](=O)[O-])C2=CC=CC=C2)[O-]

Isomeric SMILES

CCC1=[N+](C(=C(C(=C1C)C(=O)OC)[N+](=O)[O-])C2=CC=CC=C2)[O-]

InChI

InChI=1S/C16H16N2O5/c1-4-12-10(2)13(16(19)23-3)15(18(21)22)14(17(12)20)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3