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

Systemtic Name: [(4S,5S)-2-methyl-5-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl ethanoate Openeye Name: [(4S,5S)-2-methyl-5-(4-nitrophenyl)-4,5-dihydrooxazol-4-yl]methyl acetate CAS Name: acetic acid [(4S,5S)-2-methyl-5-(4-nitrophenyl)-4,5-dihydrooxazol-4-yl]methyl ester IUPAC Name: [(4S,5S)-2-methyl-5-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl acetate Traditional Name: acetic acid [(4S,5S)-2-methyl-5-(4-nitrophenyl)-2-oxazolin-4-yl]methyl ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C(O1)C2=CC=C(C=C2)[N+](=O)[O-])COC(=O)C

Isomeric SMILES

CC1=N[C@H]([C@@H](O1)C2=CC=C(C=C2)[N+](=O)[O-])COC(=O)C

InChI

InChI=1S/C13H14N2O5/c1-8-14-12(7-19-9(2)16)13(20-8)10-3-5-11(6-4-10)15(17)18/h3-6,12-13H,7H2,1-2H3/t12-,13-/m0/s1