ethanedioic acid; N-[(3-nitrophenyl)methyl]cyclohexanamine

Systemtic Name: ethanedioic acid; N-[(3-nitrophenyl)methyl]cyclohexanamine Openeye Name: N-[(3-nitrophenyl)methyl]cyclohexanamine; oxalic acid CAS Name: N-[(3-nitrophenyl)methyl]cyclohexanamine; oxalic acid IUPAC Name: N-[(3-nitrophenyl)methyl]cyclohexanamine; oxalic acid Traditional Name: cyclohexyl-(3-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)13-8-4-5-11(9-13)10-14-12-6-2-1-3-7-12;3-1(4)2(5)6/h4-5,8-9,12,14H,1-3,6-7,10H2;(H,3,4)(H,5,6)