3-[[2-cyano-3-[1-(4-fluorophenyl)pyrrol-2-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[1-(4-fluorophenyl)pyrrol-2-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[1-(4-fluorophenyl)pyrrol-2-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[1-(4-fluorophenyl)-2-pyrrolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[1-(4-fluorophenyl)pyrrol-2-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[1-(4-fluorophenyl)pyrrol-2-yl]acryloyl]amino]benzoic acid Formula: C21H14FN3O3 MolecularWeight: 375.352563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)F)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)F)C#N)C(=O)O

InChI

InChI=1S/C21H14FN3O3/c22-16-6-8-18(9-7-16)25-10-2-5-19(25)12-15(13-23)20(26)24-17-4-1-3-14(11-17)21(27)28/h1-12H,(H,24,26)(H,27,28)