2-[5-fluoranyl-4-isocyano-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-4-isocyano-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]ethanoic acid Openeye Name: 2-[5-fluoro-4-isocyano-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]acetic acid CAS Name: 2-[5-fluoro-4-isocyano-2-[[(3-nitrophenyl)methylamino]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[5-fluoro-4-isocyano-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]acetic acid Traditional Name: 2-[5-fluoro-4-isocyano-2-[(3-nitrobenzyl)carbamoyl]phenoxy]acetic acid Formula: C17H12FN3O6 MolecularWeight: 373.292083

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(C=C(C(=C1)C(=O)NCC2=CC(=CC=C2)[N+](=O)[O-])OCC(=O)O)F

Isomeric SMILES

[C-]#[N+]C1=C(C=C(C(=C1)C(=O)NCC2=CC(=CC=C2)[N+](=O)[O-])OCC(=O)O)F

InChI

InChI=1S/C17H12FN3O6/c1-19-14-6-12(15(7-13(14)18)27-9-16(22)23)17(24)20-8-10-3-2-4-11(5-10)21(25)26/h2-7H,8-9H2,(H,20,24)(H,22,23)