(phenylmethyl) 2-ethanoyl-3-(4-nitrophenyl)butanoate

Systemtic Name: (phenylmethyl) 2-ethanoyl-3-(4-nitrophenyl)butanoate Openeye Name: benzyl 2-acetyl-3-(4-nitrophenyl)butanoate CAS Name: 2-acetyl-3-(4-nitrophenyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetyl-3-(4-nitrophenyl)butanoate Traditional Name: 2-acetyl-3-(4-nitrophenyl)butyric acid benzyl ester Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5/c1-13(16-8-10-17(11-9-16)20(23)24)18(14(2)21)19(22)25-12-15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3