6-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-2,3-dimethoxy-benzoic acid

Systemtic Name: 6-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-2,3-dimethoxy-benzoic acid Openeye Name: 6-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-2,3-dimethoxy-benzoic acid CAS Name: 6-[(E)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid IUPAC Name: 6-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid Traditional Name: 2,3-dimethoxy-6-[(E)-(piperonyloylhydrazono)methyl]benzoic acid Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=N/NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O)OC

InChI

InChI=1S/C18H16N2O7/c1-24-13-6-4-11(15(18(22)23)16(13)25-2)8-19-20-17(21)10-3-5-12-14(7-10)27-9-26-12/h3-8H,9H2,1-2H3,(H,20,21)(H,22,23)/b19-8+