[2-[(3,5-dinitrophenyl)carbonyloxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate

Systemtic Name: [2-[(3,5-dinitrophenyl)carbonyloxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate Openeye Name: [2-[(3,5-dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-[[(3,5-dinitrophenyl)-oxomethoxy]methyl]cyclohexyl]methyl ester IUPAC Name: [2-[(3,5-dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-[(3,5-dinitrobenzoyl)oxymethyl]cyclohexyl]methyl ester Formula: C22H20N4O12 MolecularWeight: 532.4138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(C(C1)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O12/c27-21(15-5-17(23(29)30)9-18(6-15)24(31)32)37-11-13-3-1-2-4-14(13)12-38-22(28)16-7-19(25(33)34)10-20(8-16)26(35)36/h5-10,13-14H,1-4,11-12H2