ethyl (2S,3R)-3-nitro-2-(4-nitrophenyl)-4,7-dihydro-2H-oxepine-3-carboxylate

Systemtic Name: ethyl (2S,3R)-3-nitro-2-(4-nitrophenyl)-4,7-dihydro-2H-oxepine-3-carboxylate Openeye Name: ethyl (2S,3R)-3-nitro-2-(4-nitrophenyl)-4,7-dihydro-2H-oxepine-3-carboxylate CAS Name: (2S,3R)-3-nitro-2-(4-nitrophenyl)-4,7-dihydro-2H-oxepin-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-nitro-2-(4-nitrophenyl)-4,7-dihydro-2H-oxepine-3-carboxylate Traditional Name: (2S,3R)-3-nitro-2-(4-nitrophenyl)-4,7-dihydro-2H-oxepin-3-carboxylic acid ethyl ester Formula: C15H16N2O7 MolecularWeight: 336.29674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC=CCOC1C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@]1(CC=CCO[C@H]1C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O7/c1-2-23-14(18)15(17(21)22)9-3-4-10-24-13(15)11-5-7-12(8-6-11)16(19)20/h3-8,13H,2,9-10H2,1H3/t13-,15+/m0/s1