3-(1-nitrocyclohexyl)-2-[(1-nitrocyclohexyl)methyl]-1-(4-nitrophenyl)propan-1-one

Systemtic Name: 3-(1-nitrocyclohexyl)-2-[(1-nitrocyclohexyl)methyl]-1-(4-nitrophenyl)propan-1-one Openeye Name: 3-(1-nitrocyclohexyl)-2-[(1-nitrocyclohexyl)methyl]-1-(4-nitrophenyl)propan-1-one CAS Name: 3-(1-nitrocyclohexyl)-2-[(1-nitrocyclohexyl)methyl]-1-(4-nitrophenyl)-1-propanone IUPAC Name: 3-(1-nitrocyclohexyl)-2-[(1-nitrocyclohexyl)methyl]-1-(4-nitrophenyl)propan-1-one Traditional Name: 3-(1-nitrocyclohexyl)-2-[(1-nitrocyclohexyl)methyl]-1-(4-nitrophenyl)propan-1-one Formula: C22H29N3O7 MolecularWeight: 447.48156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(CC2(CCCCC2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)(CC(CC2(CCCCC2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O7/c26-20(17-7-9-19(10-8-17)23(27)28)18(15-21(24(29)30)11-3-1-4-12-21)16-22(25(31)32)13-5-2-6-14-22/h7-10,18H,1-6,11-16H2