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

Systemtic Name: (4E)-3-methyl-4-(pyridin-3-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid Openeye Name: (4E)-3-methyl-4-(pyridine-3-carbonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid CAS Name: (4E)-3-methyl-4-[[oxo(3-pyridinyl)methyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid IUPAC Name: (4E)-3-methyl-4-(pyridine-3-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid Traditional Name: (4E)-3-methyl-4-(nicotinoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid Formula: C16H15N3O4 MolecularWeight: 313.308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CN=CC=C3)CCC2)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CN=CC=C3)/CCC2)C(=O)O

InChI

InChI=1S/C16H15N3O4/c1-9-13-11(5-2-6-12(13)23-14(9)16(21)22)18-19-15(20)10-4-3-7-17-8-10/h3-4,7-8H,2,5-6H2,1H3,(H,19,20)(H,21,22)/b18-11+