4-bromanyl-3-methyl-N-(pyridin-4-ylmethyl)aniline; ethanedioic acid

Systemtic Name: 4-bromanyl-3-methyl-N-(pyridin-4-ylmethyl)aniline; ethanedioic acid Openeye Name: 4-bromo-3-methyl-N-(4-pyridylmethyl)aniline; oxalic acid CAS Name: 4-bromo-3-methyl-N-(pyridin-4-ylmethyl)aniline; oxalic acid IUPAC Name: 4-bromo-3-methyl-N-(pyridin-4-ylmethyl)aniline; oxalic acid Traditional Name: (4-bromo-3-methyl-phenyl)-(4-pyridylmethyl)amine; oxalic acid Formula: C15H15BrN2O4 MolecularWeight: 367.1946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCC2=CC=NC=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NCC2=CC=NC=C2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H13BrN2.C2H2O4/c1-10-8-12(2-3-13(10)14)16-9-11-4-6-15-7-5-11;3-1(4)2(5)6/h2-8,16H,9H2,1H3;(H,3,4)(H,5,6)