N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-pyridin-3-yl-methanamine; ethanedioic acid

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-pyridin-3-yl-methanamine; ethanedioic acid Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-1-(3-pyridyl)methanamine; oxalic acid CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-1-(3-pyridinyl)methanamine; oxalic acid IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-1-pyridin-3-ylmethanamine; oxalic acid Traditional Name: (2-chloro-6-fluoro-benzyl)-(3-pyridylmethyl)amine; oxalic acid Formula: C15H14ClFN2O4 MolecularWeight: 340.734063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CNCC2=CN=CC=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CNCC2=CN=CC=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H12ClFN2.C2H2O4/c14-12-4-1-5-13(15)11(12)9-17-8-10-3-2-6-16-7-10;3-1(4)2(5)6/h1-7,17H,8-9H2;(H,3,4)(H,5,6)