[(1R,2S)-1-(4-nitrophenyl)-1-oxidanyl-but-3-en-2-yl] ethanoate

Systemtic Name: [(1R,2S)-1-(4-nitrophenyl)-1-oxidanyl-but-3-en-2-yl] ethanoate Openeye Name: [(1S)-1-[(R)-hydroxy-(4-nitrophenyl)methyl]allyl] acetate CAS Name: acetic acid [(1R,2S)-1-hydroxy-1-(4-nitrophenyl)but-3-en-2-yl] ester IUPAC Name: [(1R,2S)-1-hydroxy-1-(4-nitrophenyl)but-3-en-2-yl] acetate Traditional Name: acetic acid [(1S)-1-[(R)-hydroxy-(4-nitrophenyl)methyl]allyl] ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C=C)C(C1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)O[C@@H](C=C)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C12H13NO5/c1-3-11(18-8(2)14)12(15)9-4-6-10(7-5-9)13(16)17/h3-7,11-12,15H,1H2,2H3/t11-,12+/m0/s1