4-fluoranyl-2-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid

Systemtic Name: 4-fluoranyl-2-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid Openeye Name: 4-fluoro-2-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid CAS Name: 4-fluoro-2-[[(E)-2-methyl-1-oxopent-2-enyl]amino]benzoic acid IUPAC Name: 4-fluoro-2-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid Traditional Name: 4-fluoro-2-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid Formula: C13H14FNO3 MolecularWeight: 251.253563

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C(=O)NC1=C(C=CC(=C1)F)C(=O)O

Isomeric SMILES

CC/C=C(\C)/C(=O)NC1=C(C=CC(=C1)F)C(=O)O

InChI

InChI=1S/C13H14FNO3/c1-3-4-8(2)12(16)15-11-7-9(14)5-6-10(11)13(17)18/h4-7H,3H2,1-2H3,(H,15,16)(H,17,18)/b8-4+