methyl 2-[2-(4-nitrophenyl)ethyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[2-(4-nitrophenyl)ethyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[2-(4-nitrophenyl)ethyl]-3-oxo-butanoate CAS Name: 2-[2-(4-nitrophenyl)ethyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[2-(4-nitrophenyl)ethyl]-3-oxobutanoate Traditional Name: 3-keto-2-[2-(4-nitrophenyl)ethyl]butyric acid methyl ester Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-9(15)12(13(16)19-2)8-5-10-3-6-11(7-4-10)14(17)18/h3-4,6-7,12H,5,8H2,1-2H3