(phenylmethyl) 2-methyl-2-nitro-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 2-methyl-2-nitro-5-oxidanylidene-pentanoate Openeye Name: benzyl 2-methyl-2-nitro-5-oxo-pentanoate CAS Name: 2-methyl-2-nitro-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-2-nitro-5-oxopentanoate Traditional Name: 5-keto-2-methyl-2-nitro-valeric acid benzyl ester Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=O)(C(=O)OCC1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CCC=O)(C(=O)OCC1=CC=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO5/c1-13(14(17)18,8-5-9-15)12(16)19-10-11-6-3-2-4-7-11/h2-4,6-7,9H,5,8,10H2,1H3