N-(1,3-benzodioxol-5-ylmethyl)-1-(3-bromophenyl)methanamine; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-bromophenyl)methanamine; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-bromophenyl)methanamine; oxalic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-bromophenyl)methanamine; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-bromophenyl)methanamine; oxalic acid Traditional Name: (3-bromobenzyl)-piperonyl-amine; oxalic acid Formula: C17H16BrNO6 MolecularWeight: 410.21604

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H14BrNO2.C2H2O4/c16-13-3-1-2-11(6-13)8-17-9-12-4-5-14-15(7-12)19-10-18-14;3-1(4)2(5)6/h1-7,17H,8-10H2;(H,3,4)(H,5,6)