N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-2-(3-oxidanyl-1-adamantyl)ethanamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-2-(3-oxidanyl-1-adamantyl)ethanamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-2-(3-hydroxy-1-adamantyl)-N-methyl-acetamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-2-(3-hydroxy-1-adamantyl)-N-methylacetamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-2-(3-hydroxy-1-adamantyl)-N-methylacetamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-2-(3-hydroxy-1-adamantyl)-N-methyl-acetamide Formula: C20H25ClN2O4 MolecularWeight: 392.8765

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CC23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C20H25ClN2O4/c1-22(11-15-5-16(23(26)27)2-3-17(15)21)18(24)10-19-6-13-4-14(7-19)9-20(25,8-13)12-19/h2-3,5,13-14,25H,4,6-12H2,1H3