ethyl (3S)-1-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]nipecotic acid ethyl ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O6/c1-3-26-17(22)12-5-4-8-19(10-12)11-16(21)18-14-9-13(20(23)24)6-7-15(14)25-2/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,18,21)/t12-/m0/s1