N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-hydroxy-adamantane-1-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-hydroxyadamantane-1-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-hydroxy-adamantane-1-carboxamide Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C23CC4CC(C2)CC(C4)(C3)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C23CC4CC(C2)CC(C4)(C3)O)[N+](=O)[O-])OC

InChI

InChI=1S/C21H28N2O6/c1-28-17-6-15(16(23(26)27)7-18(17)29-2)3-4-22-19(24)20-8-13-5-14(9-20)11-21(25,10-13)12-20/h6-7,13-14,25H,3-5,8-12H2,1-2H3,(H,22,24)