2-[3-(4-bromophenyl)phenoxy]-3-[2-(4-methoxy-3-nitro-phenyl)propanoyloxy]propanoic acid

Systemtic Name: 2-[3-(4-bromophenyl)phenoxy]-3-[2-(4-methoxy-3-nitro-phenyl)propanoyloxy]propanoic acid Openeye Name: 2-[3-(4-bromophenyl)phenoxy]-3-[2-(4-methoxy-3-nitro-phenyl)propanoyloxy]propanoic acid CAS Name: 2-[3-(4-bromophenyl)phenoxy]-3-[2-(4-methoxy-3-nitrophenyl)-1-oxopropoxy]propanoic acid IUPAC Name: 2-[3-(4-bromophenyl)phenoxy]-3-[2-(4-methoxy-3-nitrophenyl)propanoyloxy]propanoic acid Traditional Name: 2-[3-(4-bromophenyl)phenoxy]-3-[2-(4-methoxy-3-nitro-phenyl)propanoyloxy]propionic acid Formula: C25H22BrNO8 MolecularWeight: 544.34808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)OCC(C(=O)O)OC2=CC=CC(=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)OCC(C(=O)O)OC2=CC=CC(=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H22BrNO8/c1-15(17-8-11-22(33-2)21(13-17)27(31)32)25(30)34-14-23(24(28)29)35-20-5-3-4-18(12-20)16-6-9-19(26)10-7-16/h3-13,15,23H,14H2,1-2H3,(H,28,29)