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

Systemtic Name: 3-[[2-bromanyl-4-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-bromo-4-[2-cyano-2-(3-nitrophenyl)vinyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[2-bromo-4-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-bromo-4-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[2-bromo-4-[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)COC2=C(C=C(C=C2)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-])Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=C(C=C(C=C2)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-])Br)C(=O)O

InChI

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