ethyl (3S)-1-[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]nipecotic acid ethyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5/c1-3-25-17(22)13-7-6-10-19(11-13)12(2)16(21)18-14-8-4-5-9-15(14)20(23)24/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,18,21)/t12-,13-/m0/s1