ethyl 1-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H24N3O5+ MolecularWeight: 350.38956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5/c1-3-25-17(22)13-8-10-19(11-9-13)12(2)16(21)18-14-6-4-5-7-15(14)20(23)24/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,21)/p+1/t12-/m1/s1