5-chloranyl-2-[[(E)-3-(3-fluorophenyl)-2-methyl-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 5-chloranyl-2-[[(E)-3-(3-fluorophenyl)-2-methyl-prop-2-enoyl]amino]benzoic acid Openeye Name: 5-chloro-2-[[(E)-3-(3-fluorophenyl)-2-methyl-prop-2-enoyl]amino]benzoic acid CAS Name: 5-chloro-2-[[(E)-3-(3-fluorophenyl)-2-methyl-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[(E)-3-(3-fluorophenyl)-2-methylprop-2-enoyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[(E)-3-(3-fluorophenyl)-2-methyl-acryloyl]amino]benzoic acid Formula: C17H13ClFNO3 MolecularWeight: 333.741423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=CC=C1)F)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C/C(=C\C1=CC(=CC=C1)F)/C(=O)NC2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C17H13ClFNO3/c1-10(7-11-3-2-4-13(19)8-11)16(21)20-15-6-5-12(18)9-14(15)17(22)23/h2-9H,1H3,(H,20,21)(H,22,23)/b10-7+