[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C17H14BrFN2O6 MolecularWeight: 441.205263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)OCC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H14BrFN2O6/c1-10(27-13-5-2-11(18)3-6-13)17(23)26-9-16(22)20-12-4-7-14(19)15(8-12)21(24)25/h2-8,10H,9H2,1H3,(H,20,22)