propan-2-yl 5-(4-nitrophenyl)-5-oxidanyl-3-oxidanylidene-pentanoate

Systemtic Name: propan-2-yl 5-(4-nitrophenyl)-5-oxidanyl-3-oxidanylidene-pentanoate Openeye Name: isopropyl 5-hydroxy-5-(4-nitrophenyl)-3-oxo-pentanoate CAS Name: 5-hydroxy-5-(4-nitrophenyl)-3-oxopentanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-hydroxy-5-(4-nitrophenyl)-3-oxopentanoate Traditional Name: 5-hydroxy-3-keto-5-(4-nitrophenyl)valeric acid isopropyl ester Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6/c1-9(2)21-14(18)8-12(16)7-13(17)10-3-5-11(6-4-10)15(19)20/h3-6,9,13,17H,7-8H2,1-2H3