ethanedioic acid; N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]aniline

Systemtic Name: ethanedioic acid; N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]aniline Openeye Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]aniline; oxalic acid CAS Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]aniline; oxalic acid IUPAC Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]aniline; oxalic acid Traditional Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-phenyl-amine; oxalic acid Formula: C17H17NO7 MolecularWeight: 347.31938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CNC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CNC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H15NO3.C2H2O4/c1-17-13-7-11(8-14-15(13)19-10-18-14)9-16-12-5-3-2-4-6-12;3-1(4)2(5)6/h2-8,16H,9-10H2,1H3;(H,3,4)(H,5,6)