ethanedioic acid; N-[(4-nitrophenyl)methyl]pentan-3-amine

Systemtic Name: ethanedioic acid; N-[(4-nitrophenyl)methyl]pentan-3-amine Openeye Name: N-[(4-nitrophenyl)methyl]pentan-3-amine; oxalic acid CAS Name: N-[(4-nitrophenyl)methyl]-3-pentanamine; oxalic acid IUPAC Name: N-[(4-nitrophenyl)methyl]pentan-3-amine; oxalic acid Traditional Name: 1-ethylpropyl-(4-nitrobenzyl)amine; oxalic acid Formula: C14H20N2O6 MolecularWeight: 312.3184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC1=CC=C(C=C1)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)NCC1=CC=C(C=C1)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18N2O2.C2H2O4/c1-3-11(4-2)13-9-10-5-7-12(8-6-10)14(15)16;3-1(4)2(5)6/h5-8,11,13H,3-4,9H2,1-2H3;(H,3,4)(H,5,6)