5-[(3E)-3-[(3,4-dimethoxyphenyl)carbonylhydrazinylidene]butyl]-3-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[(3E)-3-[(3,4-dimethoxyphenyl)carbonylhydrazinylidene]butyl]-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-[(3E)-3-[(3,4-dimethoxybenzoyl)hydrazono]butyl]-3-methyl-benzofuran-2-carboxylic acid CAS Name: 5-[(3E)-3-[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazinylidene]butyl]-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-[(3E)-3-[(3,4-dimethoxybenzoyl)hydrazinylidene]butyl]-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-5-[(3E)-3-(veratroylhydrazono)butyl]coumarilic acid Formula: C23H24N2O6 MolecularWeight: 424.44646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)CCC(=NNC(=O)C3=CC(=C(C=C3)OC)OC)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)CC/C(=N/NC(=O)C3=CC(=C(C=C3)OC)OC)/C)C(=O)O

InChI

InChI=1S/C23H24N2O6/c1-13(24-25-22(26)16-8-10-19(29-3)20(12-16)30-4)5-6-15-7-9-18-17(11-15)14(2)21(31-18)23(27)28/h7-12H,5-6H2,1-4H3,(H,25,26)(H,27,28)/b24-13+