ethyl (2S)-2-(2,4-dinitrophenyl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2S)-2-(2,4-dinitrophenyl)-3-oxidanylidene-butanoate Openeye Name: ethyl (2S)-2-(2,4-dinitrophenyl)-3-oxo-butanoate CAS Name: (2S)-2-(2,4-dinitrophenyl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(2,4-dinitrophenyl)-3-oxobutanoate Traditional Name: (2S)-2-(2,4-dinitrophenyl)-3-keto-butyric acid ethyl ester Formula: C12H12N2O7 MolecularWeight: 296.23288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@@H](C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C12H12N2O7/c1-3-21-12(16)11(7(2)15)9-5-4-8(13(17)18)6-10(9)14(19)20/h4-6,11H,3H2,1-2H3/t11-/m1/s1