[2-nitro-2-(phenylcarbonyloxymethyl)butyl] benzoate

Systemtic Name: [2-nitro-2-(phenylcarbonyloxymethyl)butyl] benzoate Openeye Name: [2-(benzoyloxymethyl)-2-nitro-butyl] benzoate CAS Name: benzoic acid [2-(benzoyloxymethyl)-2-nitrobutyl] ester IUPAC Name: [2-(benzoyloxymethyl)-2-nitrobutyl] benzoate Traditional Name: benzoic acid [2-(benzoyloxymethyl)-2-nitro-butyl] ester Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC=CC=C1)(COC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(COC(=O)C1=CC=CC=C1)(COC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO6/c1-2-19(20(23)24,13-25-17(21)15-9-5-3-6-10-15)14-26-18(22)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3