propan-2-yl 3-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H25BrN2O6 MolecularWeight: 493.3477

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C22H25BrN2O6/c1-14(2)31-22(27)13-18(16-6-4-5-7-19(16)25(28)29)24-21(26)11-9-15-8-10-20(30-3)17(23)12-15/h4-8,10,12,14,18H,9,11,13H2,1-3H3,(H,24,26)