(Z)-4-[(3-fluoranyl-4-methyl-phenyl)methylamino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (Z)-4-[(3-fluoranyl-4-methyl-phenyl)methylamino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (Z)-4-[(3-fluoro-4-methyl-phenyl)methylamino]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (Z)-4-[(3-fluoro-4-methylphenyl)methylamino]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (Z)-4-[(3-fluoro-4-methylphenyl)methylamino]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (Z)-4-[(3-fluoro-4-methyl-benzyl)amino]-4-hydroxy-2-keto-but-3-enoic acid Formula: C12H12FNO4 MolecularWeight: 253.226383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=CC(=O)C(=O)O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)CN/C(=C/C(=O)C(=O)O)/O)F

InChI

InChI=1S/C12H12FNO4/c1-7-2-3-8(4-9(7)13)6-14-11(16)5-10(15)12(17)18/h2-5,14,16H,6H2,1H3,(H,17,18)/b11-5-