(4-nitrophenyl)methyl 4,4-dimethyl-3-oxidanylidene-pentanoate

Systemtic Name: (4-nitrophenyl)methyl 4,4-dimethyl-3-oxidanylidene-pentanoate Openeye Name: (4-nitrophenyl)methyl 4,4-dimethyl-3-oxo-pentanoate CAS Name: 4,4-dimethyl-3-oxopentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4,4-dimethyl-3-oxopentanoate Traditional Name: 3-keto-4,4-dimethyl-valeric acid (4-nitrobenzyl) ester Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-14(2,3)12(16)8-13(17)20-9-10-4-6-11(7-5-10)15(18)19/h4-7H,8-9H2,1-3H3