6-methyl-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid; pyridine-4-carboxamide

Systemtic Name: 6-methyl-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid; pyridine-4-carboxamide Openeye Name: 6-methyl-4-oxo-6,7-dihydro-5H-benzofuran-3-carboxylic acid; pyridine-4-carboxamide CAS Name: 6-methyl-4-oxo-6,7-dihydro-5H-benzofuran-3-carboxylic acid; 4-pyridinecarboxamide IUPAC Name: 6-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid; pyridine-4-carboxamide Traditional Name: isonicotinamide; 4-keto-6-methyl-6,7-dihydro-5H-benzofuran-3-carboxylic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=O)C1)C(=CO2)C(=O)O.C1=CN=CC=C1C(=O)N

Isomeric SMILES

CC1CC2=C(C(=O)C1)C(=CO2)C(=O)O.C1=CN=CC=C1C(=O)N

InChI

InChI=1S/C10H10O4.C6H6N2O/c1-5-2-7(11)9-6(10(12)13)4-14-8(9)3-5;7-6(9)5-1-3-8-4-2-5/h4-5H,2-3H2,1H3,(H,12,13);1-4H,(H2,7,9)