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

Systemtic Name: ethanedioic acid; N-[(3-nitrophenyl)methyl]cycloheptanamine Openeye Name: N-[(3-nitrophenyl)methyl]cycloheptanamine; oxalic acid CAS Name: N-[(3-nitrophenyl)methyl]cycloheptanamine; oxalic acid IUPAC Name: N-[(3-nitrophenyl)methyl]cycloheptanamine; oxalic acid Traditional Name: cycloheptyl-(3-nitrobenzyl)amine; oxalic acid Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NCC2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCC(CC1)NCC2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20N2O2.C2H2O4/c17-16(18)14-9-5-6-12(10-14)11-15-13-7-3-1-2-4-8-13;3-1(4)2(5)6/h5-6,9-10,13,15H,1-4,7-8,11H2;(H,3,4)(H,5,6)