(2,4-dimethoxyphenyl)methyl 3-nitramidocyclohexane-1-carboxylate

Systemtic Name: (2,4-dimethoxyphenyl)methyl 3-nitramidocyclohexane-1-carboxylate Openeye Name: (2,4-dimethoxyphenyl)methyl 3-nitramidocyclohexanecarboxylate CAS Name: 3-nitramido-1-cyclohexanecarboxylic acid (2,4-dimethoxyphenyl)methyl ester IUPAC Name: (2,4-dimethoxyphenyl)methyl 3-nitramidocyclohexane-1-carboxylate Traditional Name: 3-nitramidocyclohexanecarboxylic acid (2,4-dimethoxybenzyl) ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)COC(=O)C2CCCC(C2)N[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)COC(=O)C2CCCC(C2)N[N+](=O)[O-])OC

InChI

InChI=1S/C16H22N2O6/c1-22-14-7-6-12(15(9-14)23-2)10-24-16(19)11-4-3-5-13(8-11)17-18(20)21/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3