ethyl (1S)-1-(5-bromanyl-2,4-dinitro-phenyl)-2-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: ethyl (1S)-1-(5-bromanyl-2,4-dinitro-phenyl)-2-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: ethyl (1S)-1-(5-bromo-2,4-dinitro-phenyl)-2-oxo-cyclopentanecarboxylate CAS Name: (1S)-1-(5-bromo-2,4-dinitrophenyl)-2-oxo-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S)-1-(5-bromo-2,4-dinitrophenyl)-2-oxocyclopentane-1-carboxylate Traditional Name: (1S)-1-(5-bromo-2,4-dinitro-phenyl)-2-keto-cyclopentanecarboxylic acid ethyl ester Formula: C14H13BrN2O7 MolecularWeight: 401.16622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)[C@@]1(CCCC1=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C14H13BrN2O7/c1-2-24-13(19)14(5-3-4-12(14)18)8-6-9(15)11(17(22)23)7-10(8)16(20)21/h6-7H,2-5H2,1H3/t14-/m0/s1