ethyl (3S)-1-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-nitroanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2-nitroanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(2-nitroanilino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H22N3O5+ MolecularWeight: 336.36298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5/c1-2-24-16(21)12-6-5-9-18(10-12)11-15(20)17-13-7-3-4-8-14(13)19(22)23/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,17,20)/p+1/t12-/m0/s1