(phenylmethyl) (2E)-2-hydroxyimino-6-nitro-hexanoate

Systemtic Name: (phenylmethyl) (2E)-2-hydroxyimino-6-nitro-hexanoate Openeye Name: benzyl (2E)-2-hydroxyimino-6-nitro-hexanoate CAS Name: (2E)-2-hydroxyimino-6-nitrohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2E)-2-hydroxyimino-6-nitrohexanoate Traditional Name: (2E)-2-hydroximino-6-nitro-hexanoic acid benzyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=NO)CCCC[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/C(=N/O)/CCCC[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c16-13(20-10-11-6-2-1-3-7-11)12(14-17)8-4-5-9-15(18)19/h1-3,6-7,17H,4-5,8-10H2/b14-12+