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

Systemtic Name: 4-[[4-bromanyl-2-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-bromo-2-[2-cyano-2-(3-nitrophenyl)vinyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[4-bromo-2-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-bromo-2-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-bromo-2-[2-cyano-2-(3-nitrophenyl)vinyl]phenoxy]methyl]benzoic acid Formula: C23H15BrN2O5 MolecularWeight: 479.2796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C23H15BrN2O5/c24-20-8-9-22(31-14-15-4-6-16(7-5-15)23(27)28)18(11-20)10-19(13-25)17-2-1-3-21(12-17)26(29)30/h1-12H,14H2,(H,27,28)