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

Systemtic Name: ethanedioic acid; N-[(3-nitrophenyl)methyl]cyclopentanamine Openeye Name: N-[(3-nitrophenyl)methyl]cyclopentanamine; oxalic acid CAS Name: N-[(3-nitrophenyl)methyl]cyclopentanamine; oxalic acid IUPAC Name: N-[(3-nitrophenyl)methyl]cyclopentanamine; oxalic acid Traditional Name: cyclopentyl-(3-nitrobenzyl)amine; oxalic acid Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NCC2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(C1)NCC2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16N2O2.C2H2O4/c15-14(16)12-7-3-4-10(8-12)9-13-11-5-1-2-6-11;3-1(4)2(5)6/h3-4,7-8,11,13H,1-2,5-6,9H2;(H,3,4)(H,5,6)