methyl 4-(2-nitro-1-oxidanyl-ethyl)benzoate

Systemtic Name: methyl 4-(2-nitro-1-oxidanyl-ethyl)benzoate Openeye Name: methyl 4-(1-hydroxy-2-nitro-ethyl)benzoate CAS Name: 4-(1-hydroxy-2-nitroethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-hydroxy-2-nitroethyl)benzoate Traditional Name: 4-(1-hydroxy-2-nitro-ethyl)benzoic acid methyl ester Formula: C10H11NO5 MolecularWeight: 225.19804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO5/c1-16-10(13)8-4-2-7(3-5-8)9(12)6-11(14)15/h2-5,9,12H,6H2,1H3