4-bromanyl-2-methyl-N-(pyridin-3-ylmethyl)aniline; ethanedioic acid

Systemtic Name: 4-bromanyl-2-methyl-N-(pyridin-3-ylmethyl)aniline; ethanedioic acid Openeye Name: 4-bromo-2-methyl-N-(3-pyridylmethyl)aniline; oxalic acid CAS Name: 4-bromo-2-methyl-N-(3-pyridinylmethyl)aniline; oxalic acid IUPAC Name: 4-bromo-2-methyl-N-(pyridin-3-ylmethyl)aniline; oxalic acid Traditional Name: (4-bromo-2-methyl-phenyl)-(3-pyridylmethyl)amine; oxalic acid Formula: C15H15BrN2O4 MolecularWeight: 367.1946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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