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

Systemtic Name: ethanedioic acid; N-[(3-nitrophenyl)methyl]propan-2-amine Openeye Name: N-[(3-nitrophenyl)methyl]propan-2-amine; oxalic acid CAS Name: N-[(3-nitrophenyl)methyl]-2-propanamine; oxalic acid IUPAC Name: N-[(3-nitrophenyl)methyl]propan-2-amine; oxalic acid Traditional Name: isopropyl-(3-nitrobenzyl)amine; oxalic acid Formula: C12H16N2O6 MolecularWeight: 284.26524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O2.C2H2O4/c1-8(2)11-7-9-4-3-5-10(6-9)12(13)14;3-1(4)2(5)6/h3-6,8,11H,7H2,1-2H3;(H,3,4)(H,5,6)