4-[2-[3-chloranyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[3-chloranyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[3-chloro-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[3-chloro-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[3-chloro-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[3-chloro-5-methoxy-4-(3-nitrobenzyl)oxy-phenyl]-1-cyano-vinyl]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=C(C=C2)C(=O)O)Cl)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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