4-[2-[(E)-[(4-cyano-2-fluoranyl-phenyl)carbonylhydrazinylidene]methyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-[(4-cyano-2-fluoranyl-phenyl)carbonylhydrazinylidene]methyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-[(E)-[(4-cyano-2-fluoro-benzoyl)hydrazono]methyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2-[(E)-[[(4-cyano-2-fluorophenyl)-oxomethyl]hydrazinylidene]methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-[(E)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-[(E)-[(4-cyano-2-fluoro-benzoyl)hydrazono]methyl]pyrrol-1-yl]benzoic acid Formula: C20H13FN4O3 MolecularWeight: 376.340623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C=NNC(=O)C2=C(C=C(C=C2)C#N)F)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CN(C(=C1)/C=N/NC(=O)C2=C(C=C(C=C2)C#N)F)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H13FN4O3/c21-18-10-13(11-22)3-8-17(18)19(26)24-23-12-16-2-1-9-25(16)15-6-4-14(5-7-15)20(27)28/h1-10,12H,(H,24,26)(H,27,28)/b23-12+