2-[2-bromanyl-6-chloranyl-4-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-bromanyl-6-chloranyl-4-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-6-chloro-4-[2-cyano-2-(3-nitrophenyl)vinyl]phenoxy]acetic acid CAS Name: 2-[2-bromo-6-chloro-4-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]acetic acid IUPAC Name: 2-[2-bromo-6-chloro-4-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]acetic acid Traditional Name: 2-[2-bromo-6-chloro-4-[2-cyano-2-(3-nitrophenyl)vinyl]phenoxy]acetic acid Formula: C17H10BrClN2O5 MolecularWeight: 437.6287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10BrClN2O5/c18-14-5-10(6-15(19)17(14)26-9-16(22)23)4-12(8-20)11-2-1-3-13(7-11)21(24)25/h1-7H,9H2,(H,22,23)