2-ethoxyethyl (3S,4R)-2-methylidene-4-(3-nitrophenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: 2-ethoxyethyl (3S,4R)-2-methylidene-4-(3-nitrophenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: 2-ethoxyethyl (3S,4R)-2-methylene-4-(3-nitrophenyl)-6-oxo-piperidine-3-carboxylate CAS Name: (3S,4R)-2-methylene-4-(3-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (3S,4R)-2-methylidene-4-(3-nitrophenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (3S,4R)-6-keto-2-methylene-4-(3-nitrophenyl)nipecotic acid 2-ethoxyethyl ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-3-24-7-8-25-17(21)16-11(2)18-15(20)10-14(16)12-5-4-6-13(9-12)19(22)23/h4-6,9,14,16H,2-3,7-8,10H2,1H3,(H,18,20)/t14-,16+/m0/s1