N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]adamantan-2-amine

Systemtic Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]adamantan-2-amine Openeye Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]adamantan-2-amine CAS Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-adamantanamine IUPAC Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]adamantan-2-amine Traditional Name: 2-adamantyl-(4,5-dimethoxy-2-nitro-benzyl)amine Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNC2C3CC4CC(C3)CC2C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CNC2C3CC4CC(C3)CC2C4)[N+](=O)[O-])OC

InChI

InChI=1S/C19H26N2O4/c1-24-17-8-15(16(21(22)23)9-18(17)25-2)10-20-19-13-4-11-3-12(6-13)7-14(19)5-11/h8-9,11-14,19-20H,3-7,10H2,1-2H3