N-(3,5-diacetamido-2-chloranyl-3,5-dinitro-cyclohexyl)ethanamide

Systemtic Name: N-(3,5-diacetamido-2-chloranyl-3,5-dinitro-cyclohexyl)ethanamide Openeye Name: N-(3,5-diacetamido-2-chloro-3,5-dinitro-cyclohexyl)acetamide CAS Name: N-(3,5-diacetamido-2-chloro-3,5-dinitrocyclohexyl)acetamide IUPAC Name: N-(3,5-diacetamido-2-chloro-3,5-dinitrocyclohexyl)acetamide Traditional Name: N-(3,5-diacetamido-2-chloro-3,5-dinitro-cyclohexyl)acetamide Formula: C12H18ClN5O7 MolecularWeight: 379.75362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC(CC(C1Cl)(NC(=O)C)[N+](=O)[O-])(NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1CC(CC(C1Cl)(NC(=O)C)[N+](=O)[O-])(NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18ClN5O7/c1-6(19)14-9-4-11(17(22)23,15-7(2)20)5-12(10(9)13,18(24)25)16-8(3)21/h9-10H,4-5H2,1-3H3,(H,14,19)(H,15,20)(H,16,21)