(E)-4-[(3-cyano-4-fluoranyl-phenyl)methyl-methoxy-amino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[(3-cyano-4-fluoranyl-phenyl)methyl-methoxy-amino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[(3-cyano-4-fluoro-phenyl)methyl-methoxy-amino]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[(3-cyano-4-fluorophenyl)methyl-methoxyamino]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[(3-cyano-4-fluorophenyl)methyl-methoxyamino]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[(3-cyano-4-fluoro-benzyl)-methoxy-amino]-4-hydroxy-2-keto-but-3-enoic acid Formula: C13H11FN2O5 MolecularWeight: 294.235243

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Descriptors Computed from Structure

Canonical SMILES:

CON(CC1=CC(=C(C=C1)F)C#N)C(=CC(=O)C(=O)O)O

Isomeric SMILES

CON(CC1=CC(=C(C=C1)F)C#N)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C13H11FN2O5/c1-21-16(12(18)5-11(17)13(19)20)7-8-2-3-10(14)9(4-8)6-15/h2-5,18H,7H2,1H3,(H,19,20)/b12-5+