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

Systemtic Name: 5-bromanyl-3-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]-1-benzofuran-2-carboxylic acid Openeye Name: 5-bromo-3-[[(E)-2-cyano-1-hydroxy-3-oxo-but-1-enyl]amino]benzofuran-2-carboxylic acid CAS Name: 5-bromo-3-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]-2-benzofurancarboxylic acid IUPAC Name: 5-bromo-3-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]-1-benzofuran-2-carboxylic acid Traditional Name: 5-bromo-3-[[(E)-2-cyano-1-hydroxy-3-keto-but-1-enyl]amino]coumarilic acid Formula: C14H9BrN2O5 MolecularWeight: 365.13566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=C(OC2=C1C=C(C=C2)Br)C(=O)O)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NC1=C(OC2=C1C=C(C=C2)Br)C(=O)O)/O)/C#N

InChI

InChI=1S/C14H9BrN2O5/c1-6(18)9(5-16)13(19)17-11-8-4-7(15)2-3-10(8)22-12(11)14(20)21/h2-4,17,19H,1H3,(H,20,21)/b13-9+