methyl 2-ethanoyl-3-(2-nitrophenyl)butanoate

Systemtic Name: methyl 2-ethanoyl-3-(2-nitrophenyl)butanoate Openeye Name: methyl 2-acetyl-3-(2-nitrophenyl)butanoate CAS Name: 2-acetyl-3-(2-nitrophenyl)butanoic acid methyl ester IUPAC Name: methyl 2-acetyl-3-(2-nitrophenyl)butanoate Traditional Name: 2-acetyl-3-(2-nitrophenyl)butyric acid methyl ester Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-8(12(9(2)15)13(16)19-3)10-6-4-5-7-11(10)14(17)18/h4-8,12H,1-3H3