(2-ethylphenyl)methyl (2E)-2-hydroxyimino-4-nitro-butanoate

Systemtic Name: (2-ethylphenyl)methyl (2E)-2-hydroxyimino-4-nitro-butanoate Openeye Name: (2-ethylphenyl)methyl (2E)-2-hydroxyimino-4-nitro-butanoate CAS Name: (2E)-2-hydroxyimino-4-nitrobutanoic acid (2-ethylphenyl)methyl ester IUPAC Name: (2-ethylphenyl)methyl (2E)-2-hydroxyimino-4-nitrobutanoate Traditional Name: (2E)-2-hydroximino-4-nitro-butyric acid (2-ethylbenzyl) ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1COC(=O)C(=NO)CC[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1COC(=O)/C(=N/O)/CC[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-2-10-5-3-4-6-11(10)9-20-13(16)12(14-17)7-8-15(18)19/h3-6,17H,2,7-9H2,1H3/b14-12+