[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl 4-nitrobenzoate

Systemtic Name: [(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl 4-nitrobenzoate Openeye Name: [(5S)-3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(5S)-3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl ester IUPAC Name: [(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(5S)-3-(2-methoxyphenyl)-2-isoxazolin-5-yl]methyl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NO[C@@H](C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6/c1-24-17-5-3-2-4-15(17)16-10-14(26-19-16)11-25-18(21)12-6-8-13(9-7-12)20(22)23/h2-9,14H,10-11H2,1H3/t14-/m0/s1