(4E)-3,6,6-trimethyl-4-(pyridin-4-ylcarbonylhydrazinylidene)-5,7-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: (4E)-3,6,6-trimethyl-4-(pyridin-4-ylcarbonylhydrazinylidene)-5,7-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: (4E)-3,6,6-trimethyl-4-(pyridine-4-carbonylhydrazono)-5,7-dihydrobenzofuran-2-carboxylic acid CAS Name: (4E)-3,6,6-trimethyl-4-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]-5,7-dihydrobenzofuran-2-carboxylic acid IUPAC Name: (4E)-3,6,6-trimethyl-4-(pyridine-4-carbonylhydrazinylidene)-5,7-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: (4E)-4-(isonicotinoylhydrazono)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC=NC=C3)/CC(C2)(C)C)C(=O)O

InChI

InChI=1S/C18H19N3O4/c1-10-14-12(20-21-16(22)11-4-6-19-7-5-11)8-18(2,3)9-13(14)25-15(10)17(23)24/h4-7H,8-9H2,1-3H3,(H,21,22)(H,23,24)/b20-12+