N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethyl-aniline; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethyl-aniline; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethyl-aniline; oxalic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylaniline; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylaniline; oxalic acid Traditional Name: (3,4-dimethylphenyl)-piperonyl-amine; oxalic acid Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=CC3=C(C=C2)OCO3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=CC3=C(C=C2)OCO3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17NO2.C2H2O4/c1-11-3-5-14(7-12(11)2)17-9-13-4-6-15-16(8-13)19-10-18-15;3-1(4)2(5)6/h3-8,17H,9-10H2,1-2H3;(H,3,4)(H,5,6)