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

Systemtic Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]adamantan-2-amine; ethanedioic acid Openeye Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]adamantan-2-amine; oxalic acid CAS Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-adamantanamine; oxalic acid IUPAC Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]adamantan-2-amine; oxalic acid Traditional Name: 2-adamantyl-(4,5-dimethoxy-2-nitro-benzyl)amine; oxalic acid Formula: C21H28N2O8 MolecularWeight: 436.45562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4.C2H2O4/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;3-1(4)2(5)6/h8-9,11-14,19-20H,3-7,10H2,1-2H3;(H,3,4)(H,5,6)