ethanedioic acid; 2-methyl-N-[(3-nitrophenyl)methyl]cyclohexan-1-amine

Systemtic Name: ethanedioic acid; 2-methyl-N-[(3-nitrophenyl)methyl]cyclohexan-1-amine Openeye Name: 2-methyl-N-[(3-nitrophenyl)methyl]cyclohexanamine; oxalic acid CAS Name: 2-methyl-N-[(3-nitrophenyl)methyl]-1-cyclohexanamine; oxalic acid IUPAC Name: 2-methyl-N-[(3-nitrophenyl)methyl]cyclohexan-1-amine; oxalic acid Traditional Name: (2-methylcyclohexyl)-(3-nitrobenzyl)amine; oxalic acid Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2.C2H2O4/c1-11-5-2-3-8-14(11)15-10-12-6-4-7-13(9-12)16(17)18;3-1(4)2(5)6/h4,6-7,9,11,14-15H,2-3,5,8,10H2,1H3;(H,3,4)(H,5,6)