3-[[2-chloranyl-4-[2-cyano-2-(3-nitrophenyl)ethenyl]-6-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-chloranyl-4-[2-cyano-2-(3-nitrophenyl)ethenyl]-6-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-chloro-4-[2-cyano-2-(3-nitrophenyl)vinyl]-6-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-chloro-4-[2-cyano-2-(3-nitrophenyl)ethenyl]-6-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-chloro-4-[2-cyano-2-(3-nitrophenyl)ethenyl]-6-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[2-chloro-4-[2-cyano-2-(3-nitrophenyl)vinyl]-6-methoxy-phenoxy]methyl]benzoic acid Formula: C24H17ClN2O6 MolecularWeight: 464.85458

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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-])Cl)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-])Cl)OCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C24H17ClN2O6/c1-32-22-11-16(9-19(13-26)17-5-3-7-20(12-17)27(30)31)10-21(25)23(22)33-14-15-4-2-6-18(8-15)24(28)29/h2-12H,14H2,1H3,(H,28,29)