[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)furan-2-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)furan-2-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 5-(4-fluorophenyl)furan-2-carboxylate CAS Name: 5-(4-fluorophenyl)-2-furancarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate Traditional Name: 5-(4-fluorophenyl)furan-2-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H12BrFN2O6 MolecularWeight: 463.210783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)F

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)F

InChI

InChI=1S/C19H12BrFN2O6/c20-14-9-13(23(26)27)5-6-15(14)22-18(24)10-28-19(25)17-8-7-16(29-17)11-1-3-12(21)4-2-11/h1-9H,10H2,(H,22,24)