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

Systemtic Name: ethanedioic acid; N-[(2-nitrophenyl)methyl]cyclohexanamine Openeye Name: N-[(2-nitrophenyl)methyl]cyclohexanamine; oxalic acid CAS Name: N-[(2-nitrophenyl)methyl]cyclohexanamine; oxalic acid IUPAC Name: N-[(2-nitrophenyl)methyl]cyclohexanamine; oxalic acid Traditional Name: cyclohexyl-(2-nitrobenzyl)amine; oxalic acid Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)NCC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H18N2O2.C2H2O4/c16-15(17)13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;3-1(4)2(5)6/h4-6,9,12,14H,1-3,7-8,10H2;(H,3,4)(H,5,6)