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

Systemtic Name: ethyl (3S)-1-[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(4-chloro-3-nitroanilino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-chloro-3-nitroanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(4-chloro-3-nitro-anilino)-2-keto-ethyl]nipecotic acid ethyl ester Formula: C16H20ClN3O5 MolecularWeight: 369.8001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O5/c1-2-25-16(22)11-4-3-7-19(9-11)10-15(21)18-12-5-6-13(17)14(8-12)20(23)24/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,18,21)/t11-/m0/s1