propan-2-yl 3-[2-(2-bromanyl-4-fluoranyl-phenoxy)propanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[2-(2-bromanyl-4-fluoranyl-phenoxy)propanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[2-(2-bromo-4-fluoro-phenoxy)propanoylamino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[2-(2-bromo-4-fluorophenoxy)-1-oxopropyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[2-(2-bromo-4-fluorophenoxy)propanoylamino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[2-(2-bromo-4-fluoro-phenoxy)propanoylamino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C21H22BrFN2O6 MolecularWeight: 497.311583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrFN2O6/c1-12(2)30-20(26)11-17(15-6-4-5-7-18(15)25(28)29)24-21(27)13(3)31-19-9-8-14(23)10-16(19)22/h4-10,12-13,17H,11H2,1-3H3,(H,24,27)