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

Systemtic Name: ethyl (3S,4R)-4-[(4-chloranyl-2-nitro-phenyl)amino]-3-oxidanyl-piperidine-1-carboxylate Openeye Name: ethyl (3S,4R)-4-(4-chloro-2-nitro-anilino)-3-hydroxy-piperidine-1-carboxylate CAS Name: (3S,4R)-4-(4-chloro-2-nitroanilino)-3-hydroxy-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-4-(4-chloro-2-nitroanilino)-3-hydroxypiperidine-1-carboxylate Traditional Name: (3S,4R)-4-(4-chloro-2-nitro-anilino)-3-hydroxy-piperidine-1-carboxylic acid ethyl ester Formula: C14H18ClN3O5 MolecularWeight: 343.76282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(C(C1)O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CC[C@H]([C@H](C1)O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H18ClN3O5/c1-2-23-14(20)17-6-5-11(13(19)8-17)16-10-4-3-9(15)7-12(10)18(21)22/h3-4,7,11,13,16,19H,2,5-6,8H2,1H3/t11-,13+/m1/s1