2-[4-[(4-fluoranyl-3-nitro-phenyl)carbamoylamino]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[(4-fluoranyl-3-nitro-phenyl)carbamoylamino]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[(4-fluoro-3-nitro-phenyl)carbamoylamino]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[(4-fluoro-3-nitroanilino)-oxomethyl]amino]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[(4-fluoro-3-nitrophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[(4-fluoro-3-nitro-phenyl)carbamoylamino]phenoxy]-2-methyl-propionic acid Formula: C17H16FN3O6 MolecularWeight: 377.323843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16FN3O6/c1-17(2,15(22)23)27-12-6-3-10(4-7-12)19-16(24)20-11-5-8-13(18)14(9-11)21(25)26/h3-9H,1-2H3,(H,22,23)(H2,19,20,24)