(4-nitrophenyl)methyl 3-oxidanylidene-2-phenethyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl 3-oxidanylidene-2-phenethyl-butanoate Openeye Name: (4-nitrophenyl)methyl 3-oxo-2-phenethyl-butanoate CAS Name: 3-oxo-2-phenethylbutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-oxo-2-phenethylbutanoate Traditional Name: 3-keto-2-phenethyl-butyric acid (4-nitrobenzyl) ester Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCC1=CC=CC=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(CCC1=CC=CC=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO5/c1-14(21)18(12-9-15-5-3-2-4-6-15)19(22)25-13-16-7-10-17(11-8-16)20(23)24/h2-8,10-11,18H,9,12-13H2,1H3