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

Systemtic Name: 3-chloranyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]adamantane-1-carboxamide Formula: C21H27ClN2O5 MolecularWeight: 422.90248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O5/c1-28-17-6-15(16(24(26)27)7-18(17)29-2)3-4-23-19(25)20-8-13-5-14(9-20)11-21(22,10-13)12-20/h6-7,13-14H,3-5,8-12H2,1-2H3,(H,23,25)