2-[4-cyano-5-fluoranyl-2-[2-(3-nitrophenyl)ethanoylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[4-cyano-5-fluoranyl-2-[2-(3-nitrophenyl)ethanoylamino]phenoxy]ethanoic acid Openeye Name: 2-[4-cyano-5-fluoro-2-[[2-(3-nitrophenyl)acetyl]amino]phenoxy]acetic acid CAS Name: 2-[4-cyano-5-fluoro-2-[[2-(3-nitrophenyl)-1-oxoethyl]amino]phenoxy]acetic acid IUPAC Name: 2-[4-cyano-5-fluoro-2-[[2-(3-nitrophenyl)acetyl]amino]phenoxy]acetic acid Traditional Name: 2-[4-cyano-5-fluoro-2-[[2-(3-nitrophenyl)acetyl]amino]phenoxy]acetic acid Formula: C17H12FN3O6 MolecularWeight: 373.292083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)NC2=C(C=C(C(=C2)C#N)F)OCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)NC2=C(C=C(C(=C2)C#N)F)OCC(=O)O

InChI

InChI=1S/C17H12FN3O6/c18-13-7-15(27-9-17(23)24)14(6-11(13)8-19)20-16(22)5-10-2-1-3-12(4-10)21(25)26/h1-4,6-7H,5,9H2,(H,20,22)(H,23,24)