2-methoxyethyl (3S,4R)-4-(2-chloranyl-5-nitro-phenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: 2-methoxyethyl (3S,4R)-4-(2-chloranyl-5-nitro-phenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: 2-methoxyethyl (3S,4R)-4-(2-chloro-5-nitro-phenyl)-2-methylene-6-oxo-piperidine-3-carboxylate CAS Name: (3S,4R)-4-(2-chloro-5-nitrophenyl)-2-methylene-6-oxo-3-piperidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (3S,4R)-4-(2-chloro-5-nitrophenyl)-2-methylidene-6-oxopiperidine-3-carboxylate Traditional Name: (3S,4R)-4-(2-chloro-5-nitro-phenyl)-6-keto-2-methylene-nipecotic acid 2-methoxyethyl ester Formula: C16H17ClN2O6 MolecularWeight: 368.76898

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1C(CC(=O)NC1=C)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COCCOC(=O)[C@H]1[C@@H](CC(=O)NC1=C)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN2O6/c1-9-15(16(21)25-6-5-24-2)12(8-14(20)18-9)11-7-10(19(22)23)3-4-13(11)17/h3-4,7,12,15H,1,5-6,8H2,2H3,(H,18,20)/t12-,15+/m0/s1