N-(2-nitro-5-pyrrolidin-1-yl-phenyl)adamantan-1-amine

Systemtic Name: N-(2-nitro-5-pyrrolidin-1-yl-phenyl)adamantan-1-amine Openeye Name: N-(2-nitro-5-pyrrolidin-1-yl-phenyl)adamantan-1-amine CAS Name: N-[2-nitro-5-(1-pyrrolidinyl)phenyl]-1-adamantanamine IUPAC Name: N-(2-nitro-5-pyrrolidin-1-ylphenyl)adamantan-1-amine Traditional Name: 1-adamantyl-(2-nitro-5-pyrrolidino-phenyl)amine Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H27N3O2/c24-23(25)19-4-3-17(22-5-1-2-6-22)10-18(19)21-20-11-14-7-15(12-20)9-16(8-14)13-20/h3-4,10,14-16,21H,1-2,5-9,11-13H2