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

Systemtic Name: 3-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[2-cyano-2-(3-nitrophenyl)vinyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[2-cyano-2-(3-nitrophenyl)vinyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C24H18N2O6 MolecularWeight: 430.40952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC(=CC=C2)[N+](=O)[O-])OCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C2=CC(=CC=C2)[N+](=O)[O-])OCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C24H18N2O6/c1-31-23-12-16(10-20(14-25)18-5-3-7-21(13-18)26(29)30)8-9-22(23)32-15-17-4-2-6-19(11-17)24(27)28/h2-13H,15H2,1H3,(H,27,28)