ethanedioic acid; N-[2-(4-nitrophenyl)ethyl]cyclohexanamine

Systemtic Name: ethanedioic acid; N-[2-(4-nitrophenyl)ethyl]cyclohexanamine Openeye Name: N-[2-(4-nitrophenyl)ethyl]cyclohexanamine; oxalic acid CAS Name: N-[2-(4-nitrophenyl)ethyl]cyclohexanamine; oxalic acid IUPAC Name: N-[2-(4-nitrophenyl)ethyl]cyclohexanamine; oxalic acid Traditional Name: cyclohexyl-[2-(4-nitrophenyl)ethyl]amine; oxalic acid Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)NCCC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20N2O2.C2H2O4/c17-16(18)14-8-6-12(7-9-14)10-11-15-13-4-2-1-3-5-13;3-1(4)2(5)6/h6-9,13,15H,1-5,10-11H2;(H,3,4)(H,5,6)