N-[(5-bromanyl-2-methoxy-phenyl)methyl]aniline; ethanedioic acid

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]aniline; ethanedioic acid Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]aniline; oxalic acid CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]aniline; oxalic acid IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]aniline; oxalic acid Traditional Name: (5-bromo-2-methoxy-benzyl)-phenyl-amine; oxalic acid Formula: C16H16BrNO5 MolecularWeight: 382.20594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H14BrNO.C2H2O4/c1-17-14-8-7-12(15)9-11(14)10-16-13-5-3-2-4-6-13;3-1(4)2(5)6/h2-9,16H,10H2,1H3;(H,3,4)(H,5,6)