2-[3-(4-bromanyl-2-cyano-phenoxy)-2-nitro-phenoxy]propanoic acid

Systemtic Name: 2-[3-(4-bromanyl-2-cyano-phenoxy)-2-nitro-phenoxy]propanoic acid Openeye Name: 2-[3-(4-bromo-2-cyano-phenoxy)-2-nitro-phenoxy]propanoic acid CAS Name: 2-[3-(4-bromo-2-cyanophenoxy)-2-nitrophenoxy]propanoic acid IUPAC Name: 2-[3-(4-bromo-2-cyanophenoxy)-2-nitrophenoxy]propanoic acid Traditional Name: 2-[3-(4-bromo-2-cyano-phenoxy)-2-nitro-phenoxy]propionic acid Formula: C16H11BrN2O6 MolecularWeight: 407.17234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=CC(=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Br)C#N

Isomeric SMILES

CC(C(=O)O)OC1=CC=CC(=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Br)C#N

InChI

InChI=1S/C16H11BrN2O6/c1-9(16(20)21)24-13-3-2-4-14(15(13)19(22)23)25-12-6-5-11(17)7-10(12)8-18/h2-7,9H,1H3,(H,20,21)