N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-methyl-cyclohexan-1-amine; ethanedioic acid

Systemtic Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-methyl-cyclohexan-1-amine; ethanedioic acid Openeye Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-methyl-cyclohexanamine; oxalic acid CAS Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-methyl-1-cyclohexanamine; oxalic acid IUPAC Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-methylcyclohexan-1-amine; oxalic acid Traditional Name: (4,5-dimethoxy-2-nitro-benzyl)-(2-methylcyclohexyl)amine; oxalic acid Formula: C18H26N2O8 MolecularWeight: 398.40764

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCCC1NCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O4.C2H2O4/c1-11-6-4-5-7-13(11)17-10-12-8-15(21-2)16(22-3)9-14(12)18(19)20;3-1(4)2(5)6/h8-9,11,13,17H,4-7,10H2,1-3H3;(H,3,4)(H,5,6)