3-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[[(E)-2-cyano-1-hydroxy-3-oxo-but-1-enyl]amino]benzofuran-2-carboxylic acid CAS Name: 3-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]-2-benzofurancarboxylic acid IUPAC Name: 3-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[[(E)-2-cyano-1-hydroxy-3-keto-but-1-enyl]amino]coumarilic acid Formula: C14H10N2O5 MolecularWeight: 286.2396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=C(OC2=CC=CC=C21)C(=O)O)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NC1=C(OC2=CC=CC=C21)C(=O)O)/O)/C#N

InChI

InChI=1S/C14H10N2O5/c1-7(17)9(6-15)13(18)16-11-8-4-2-3-5-10(8)21-12(11)14(19)20/h2-5,16,18H,1H3,(H,19,20)/b13-9+