N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]adamantan-2-amine

Systemtic Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]adamantan-2-amine Openeye Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]adamantan-2-amine CAS Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-adamantanamine IUPAC Name: N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]adamantan-2-amine Traditional Name: 2-adamantyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NCC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NCC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C18H22N2O4/c21-20(22)15-7-17-16(23-9-24-17)6-14(15)8-19-18-12-2-10-1-11(4-12)5-13(18)3-10/h6-7,10-13,18-19H,1-5,8-9H2