[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H19BrFN3O6 MolecularWeight: 496.283763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C20H19BrFN3O6/c1-11(2)18(24-19(27)13-5-3-4-6-15(13)22)20(28)31-10-17(26)23-16-8-7-12(25(29)30)9-14(16)21/h3-9,11,18H,10H2,1-2H3,(H,23,26)(H,24,27)