3-(5-chloranyl-2-nitro-phenoxy)-N-methyl-hexan-1-amine; ethanedioic acid

Systemtic Name: 3-(5-chloranyl-2-nitro-phenoxy)-N-methyl-hexan-1-amine; ethanedioic acid Openeye Name: 3-(5-chloro-2-nitro-phenoxy)-N-methyl-hexan-1-amine; oxalic acid CAS Name: 3-(5-chloro-2-nitrophenoxy)-N-methyl-1-hexanamine; oxalic acid IUPAC Name: 3-(5-chloro-2-nitrophenoxy)-N-methylhexan-1-amine; oxalic acid Traditional Name: 3-(5-chloro-2-nitro-phenoxy)hexyl-methyl-amine; oxalic acid Formula: C15H21ClN2O7 MolecularWeight: 376.78944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCNC)OC1=C(C=CC(=C1)Cl)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCCC(CCNC)OC1=C(C=CC(=C1)Cl)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19ClN2O3.C2H2O4/c1-3-4-11(7-8-15-2)19-13-9-10(14)5-6-12(13)16(17)18;3-1(4)2(5)6/h5-6,9,11,15H,3-4,7-8H2,1-2H3;(H,3,4)(H,5,6)