ethanedioic acid; N-[(3-nitrophenyl)methyl]adamantan-2-amine

Systemtic Name: ethanedioic acid; N-[(3-nitrophenyl)methyl]adamantan-2-amine Openeye Name: N-[(3-nitrophenyl)methyl]adamantan-2-amine; oxalic acid CAS Name: N-[(3-nitrophenyl)methyl]-2-adamantanamine; oxalic acid IUPAC Name: N-[(3-nitrophenyl)methyl]adamantan-2-amine; oxalic acid Traditional Name: 2-adamantyl-(3-nitrobenzyl)amine; oxalic acid Formula: C19H24N2O6 MolecularWeight: 376.40366

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NCC4=CC(=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NCC4=CC(=CC=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22N2O2.C2H2O4/c20-19(21)16-3-1-2-11(9-16)10-18-17-14-5-12-4-13(7-14)8-15(17)6-12;3-1(4)2(5)6/h1-3,9,12-15,17-18H,4-8,10H2;(H,3,4)(H,5,6)