(2-nitramido-1,4,5,6-tetrahydropyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate

Systemtic Name: (2-nitramido-1,4,5,6-tetrahydropyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate Openeye Name: (2-nitramido-1,4,5,6-tetrahydropyrimidin-5-yl) 1-cyclohexylcyclohexanecarboxylate CAS Name: 1-cyclohexyl-1-cyclohexanecarboxylic acid (2-nitramido-1,4,5,6-tetrahydropyrimidin-5-yl) ester IUPAC Name: (2-nitramido-1,4,5,6-tetrahydropyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate Traditional Name: 1-cyclohexylcyclohexanecarboxylic acid (2-nitramido-1,4,5,6-tetrahydropyrimidin-5-yl) ester Formula: C17H28N4O4 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2(CCCCC2)C(=O)OC3CNC(=NC3)N[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2(CCCCC2)C(=O)OC3CNC(=NC3)N[N+](=O)[O-]

InChI

InChI=1S/C17H28N4O4/c22-15(25-14-11-18-16(19-12-14)20-21(23)24)17(9-5-2-6-10-17)13-7-3-1-4-8-13/h13-14H,1-12H2,(H2,18,19,20)