2-fluoranyl-6-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-fluoranyl-6-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-fluoro-6-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-fluoro-6-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-fluoro-6-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-fluoro-6-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]benzoic acid Formula: C14H12FN3O3 MolecularWeight: 289.261783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)NC2=C(C(=CC=C2)F)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)NC2=C(C(=CC=C2)F)C(=O)O

InChI

InChI=1S/C14H12FN3O3/c1-18-8-9(7-16-18)5-6-12(19)17-11-4-2-3-10(15)13(11)14(20)21/h2-8H,1H3,(H,17,19)(H,20,21)/b6-5+