2-[4-bromanyl-2-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-bromanyl-2-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[2-cyano-2-(3-nitrophenyl)vinyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[2-cyano-2-(3-nitrophenyl)vinyl]phenoxy]acetic acid Formula: C17H11BrN2O5 MolecularWeight: 403.18364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=CC2=C(C=CC(=C2)Br)OCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=CC2=C(C=CC(=C2)Br)OCC(=O)O)C#N

InChI

InChI=1S/C17H11BrN2O5/c18-14-4-5-16(25-10-17(21)22)12(7-14)6-13(9-19)11-2-1-3-15(8-11)20(23)24/h1-8H,10H2,(H,21,22)