propan-2-yl 3-[2-(4-bromanylphenoxy)ethanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[2-(4-bromanylphenoxy)ethanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[2-(4-bromophenoxy)acetyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(4-bromophenoxy)acetyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[2-(4-bromophenoxy)acetyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C20H21BrN2O6 MolecularWeight: 465.29454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H21BrN2O6/c1-13(2)29-20(25)11-17(16-5-3-4-6-18(16)23(26)27)22-19(24)12-28-15-9-7-14(21)8-10-15/h3-10,13,17H,11-12H2,1-2H3,(H,22,24)