(4-nitrophenyl)methyl 5,5-dimethoxy-3-oxidanylidene-pentanoate

Systemtic Name: (4-nitrophenyl)methyl 5,5-dimethoxy-3-oxidanylidene-pentanoate Openeye Name: (4-nitrophenyl)methyl 5,5-dimethoxy-3-oxo-pentanoate CAS Name: 5,5-dimethoxy-3-oxopentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5,5-dimethoxy-3-oxopentanoate Traditional Name: 3-keto-5,5-dimethoxy-valeric acid (4-nitrobenzyl) ester Formula: C14H17NO7 MolecularWeight: 311.28728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO7/c1-20-14(21-2)8-12(16)7-13(17)22-9-10-3-5-11(6-4-10)15(18)19/h3-6,14H,7-9H2,1-2H3