(4R,5S)-5-ethynyl-4-methyl-3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: (4R,5S)-5-ethynyl-4-methyl-3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazole Openeye Name: (4R,5S)-5-ethynyl-4-methyl-3-(3-nitrophenyl)-4,5-dihydroisoxazole CAS Name: (4R,5S)-5-ethynyl-4-methyl-3-(3-nitrophenyl)-4,5-dihydroisoxazole IUPAC Name: (4R,5S)-5-ethynyl-4-methyl-3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazole Traditional Name: (4R,5S)-5-ethynyl-4-methyl-3-(3-nitrophenyl)-2-isoxazoline Formula: C12H10N2O3 MolecularWeight: 230.2194

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(ON=C1C2=CC(=CC=C2)[N+](=O)[O-])C#C

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O3/c1-3-11-8(2)12(13-17-11)9-5-4-6-10(7-9)14(15)16/h1,4-8,11H,2H3/t8-,11+/m0/s1