2-chloranyl-4-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]benzoic acid

Systemtic Name: 2-chloranyl-4-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]benzoic acid Openeye Name: 2-chloro-4-[[(E)-2-cyano-1-hydroxy-3-oxo-but-1-enyl]amino]benzoic acid CAS Name: 2-chloro-4-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]benzoic acid Traditional Name: 2-chloro-4-[[(E)-2-cyano-1-hydroxy-3-keto-but-1-enyl]amino]benzoic acid Formula: C12H9ClN2O4 MolecularWeight: 280.66386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=CC(=C(C=C1)C(=O)O)Cl)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NC1=CC(=C(C=C1)C(=O)O)Cl)/O)/C#N

InChI

InChI=1S/C12H9ClN2O4/c1-6(16)9(5-14)11(17)15-7-2-3-8(12(18)19)10(13)4-7/h2-4,15,17H,1H3,(H,18,19)/b11-9+