methyl (4S,5S)-3-(3-nitrophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate

Systemtic Name: methyl (4S,5S)-3-(3-nitrophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate Openeye Name: methyl (4S,5S)-3-(3-nitrophenyl)-5-phenyl-4,5-dihydroisoxazole-4-carboxylate CAS Name: (4S,5S)-3-(3-nitrophenyl)-5-phenyl-4,5-dihydroisoxazole-4-carboxylic acid methyl ester IUPAC Name: methyl (4S,5S)-3-(3-nitrophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate Traditional Name: (4S,5S)-3-(3-nitrophenyl)-5-phenyl-2-isoxazoline-4-carboxylic acid methyl ester Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(ON=C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1[C@H](ON=C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O5/c1-23-17(20)14-15(12-8-5-9-13(10-12)19(21)22)18-24-16(14)11-6-3-2-4-7-11/h2-10,14,16H,1H3/t14-,16+/m0/s1