ethyl (3S)-1-[(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl]nipecotic acid ethyl ester Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6/c1-4-27-18(23)13-6-5-9-20(11-13)12(2)17(22)19-15-8-7-14(21(24)25)10-16(15)26-3/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,19,22)/t12-,13-/m0/s1