1-(2-butan-2-yl-4,6-dinitro-phenyl)-2-oxidanylidene-cyclopropane-1-carboxylic acid

Systemtic Name: 1-(2-butan-2-yl-4,6-dinitro-phenyl)-2-oxidanylidene-cyclopropane-1-carboxylic acid Openeye Name: 1-(2,4-dinitro-6-sec-butyl-phenyl)-2-oxo-cyclopropanecarboxylic acid CAS Name: 1-(2-butan-2-yl-4,6-dinitrophenyl)-2-oxo-1-cyclopropanecarboxylic acid IUPAC Name: 1-(2-butan-2-yl-4,6-dinitrophenyl)-2-oxocyclopropane-1-carboxylic acid Traditional Name: 1-(2,4-dinitro-6-sec-butyl-phenyl)-2-keto-cyclopropanecarboxylic acid Formula: C14H14N2O7 MolecularWeight: 322.27016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1C2(CC2=O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1C2(CC2=O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O7/c1-3-7(2)9-4-8(15(20)21)5-10(16(22)23)12(9)14(13(18)19)6-11(14)17/h4-5,7H,3,6H2,1-2H3,(H,18,19)