ethanedioic acid; N-(2-methoxy-5-nitro-phenyl)adamantan-2-amine

Systemtic Name: ethanedioic acid; N-(2-methoxy-5-nitro-phenyl)adamantan-2-amine Openeye Name: N-(2-methoxy-5-nitro-phenyl)adamantan-2-amine; oxalic acid CAS Name: N-(2-methoxy-5-nitrophenyl)-2-adamantanamine; oxalic acid IUPAC Name: N-(2-methoxy-5-nitrophenyl)adamantan-2-amine; oxalic acid Traditional Name: 2-adamantyl-(2-methoxy-5-nitro-phenyl)amine; oxalic acid Formula: C19H24N2O7 MolecularWeight: 392.40306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2C3CC4CC(C3)CC2C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2C3CC4CC(C3)CC2C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22N2O3.C2H2O4/c1-22-16-3-2-14(19(20)21)9-15(16)18-17-12-5-10-4-11(7-12)8-13(17)6-10;3-1(4)2(5)6/h2-3,9-13,17-18H,4-8H2,1H3;(H,3,4)(H,5,6)