methyl (2S)-2-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[1-(2-nitrophenyl)isonipecotoyl]amino]propionic acid methyl ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6/c1-25-16(22)12(10-20)17-15(21)11-6-8-18(9-7-11)13-4-2-3-5-14(13)19(23)24/h2-5,11-12,20H,6-10H2,1H3,(H,17,21)/t12-/m0/s1