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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C13H15NO5/c1-3-19-13(16)12(9(2)15)8-10-5-4-6-11(7-10)14(17)18/h4-7,12H,3,8H2,1-2H3