ethyl (1S)-1-(2,4-dinitrophenyl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl (1S)-1-(2,4-dinitrophenyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl (1S)-1-(2,4-dinitrophenyl)-2-oxo-cyclohexanecarboxylate CAS Name: (1S)-1-(2,4-dinitrophenyl)-2-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S)-1-(2,4-dinitrophenyl)-2-oxocyclohexane-1-carboxylate Traditional Name: (1S)-1-(2,4-dinitrophenyl)-2-keto-cyclohexanecarboxylic acid ethyl ester Formula: C15H16N2O7 MolecularWeight: 336.29674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@]1(CCCCC1=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O7/c1-2-24-14(19)15(8-4-3-5-13(15)18)11-7-6-10(16(20)21)9-12(11)17(22)23/h6-7,9H,2-5,8H2,1H3/t15-/m0/s1