4-bromanyl-N-[(3,4-dimethoxyphenyl)methyl]aniline; ethanedioic acid

Systemtic Name: 4-bromanyl-N-[(3,4-dimethoxyphenyl)methyl]aniline; ethanedioic acid Openeye Name: 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]aniline; oxalic acid CAS Name: 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]aniline; oxalic acid IUPAC Name: 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]aniline; oxalic acid Traditional Name: (4-bromophenyl)-veratryl-amine; oxalic acid Formula: C17H18BrNO6 MolecularWeight: 412.23192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrNO2.C2H2O4/c1-18-14-8-3-11(9-15(14)19-2)10-17-13-6-4-12(16)5-7-13;3-1(4)2(5)6/h3-9,17H,10H2,1-2H3;(H,3,4)(H,5,6)