1-[2-(2-butyl-4,6-dinitro-phenyl)-1-ethanoyl-2-methyl-5-propan-2-yl-cyclohexyl]ethanone

Systemtic Name: 1-[2-(2-butyl-4,6-dinitro-phenyl)-1-ethanoyl-2-methyl-5-propan-2-yl-cyclohexyl]ethanone Openeye Name: 1-[1-acetyl-2-(2-butyl-4,6-dinitro-phenyl)-5-isopropyl-2-methyl-cyclohexyl]ethanone CAS Name: 1-[1-acetyl-2-(2-butyl-4,6-dinitrophenyl)-2-methyl-5-propan-2-ylcyclohexyl]ethanone IUPAC Name: 1-[1-acetyl-2-(2-butyl-4,6-dinitrophenyl)-2-methyl-5-propan-2-ylcyclohexyl]ethanone Traditional Name: 1-[1-acetyl-2-(2-butyl-4,6-dinitro-phenyl)-5-isopropyl-2-methyl-cyclohexyl]ethanone Formula: C24H34N2O6 MolecularWeight: 446.53656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1C2(CCC(CC2(C(=O)C)C(=O)C)C(C)C)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=CC(=C1C2(CCC(CC2(C(=O)C)C(=O)C)C(C)C)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H34N2O6/c1-7-8-9-18-12-20(25(29)30)13-21(26(31)32)22(18)23(6)11-10-19(15(2)3)14-24(23,16(4)27)17(5)28/h12-13,15,19H,7-11,14H2,1-6H3