(3-oxidanyl-2-oxidanylidene-3-phenyl-butyl) 4-nitrobenzoate

Systemtic Name: (3-oxidanyl-2-oxidanylidene-3-phenyl-butyl) 4-nitrobenzoate Openeye Name: (3-hydroxy-2-oxo-3-phenyl-butyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3-hydroxy-2-oxo-3-phenylbutyl) ester IUPAC Name: (3-hydroxy-2-oxo-3-phenylbutyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-hydroxy-2-keto-3-phenyl-butyl) ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6/c1-17(21,13-5-3-2-4-6-13)15(19)11-24-16(20)12-7-9-14(10-8-12)18(22)23/h2-10,21H,11H2,1H3