methyl (4S,5R)-5-(4-nitrophenyl)-4-phenyl-4,5-dihydrooxepine-2-carboxylate

Systemtic Name: methyl (4S,5R)-5-(4-nitrophenyl)-4-phenyl-4,5-dihydrooxepine-2-carboxylate Openeye Name: methyl (4S,5R)-5-(4-nitrophenyl)-4-phenyl-4,5-dihydrooxepine-2-carboxylate CAS Name: (4S,5R)-5-(4-nitrophenyl)-4-phenyl-4,5-dihydrooxepin-2-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-5-(4-nitrophenyl)-4-phenyl-4,5-dihydrooxepine-2-carboxylate Traditional Name: (4S,5R)-5-(4-nitrophenyl)-4-phenyl-4,5-dihydrooxepin-2-carboxylic acid methyl ester Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(C(C=CO1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C[C@H]([C@H](C=CO1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H17NO5/c1-25-20(22)19-13-18(14-5-3-2-4-6-14)17(11-12-26-19)15-7-9-16(10-8-15)21(23)24/h2-13,17-18H,1H3/t17-,18+/m1/s1