4-[2-(2-chloranyl-5-nitro-phenyl)-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-(2-chloranyl-5-nitro-phenyl)-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-(2-chloro-5-nitro-phenyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-(2-chloro-5-nitrophenyl)-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-(2-chloro-5-nitrophenyl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-(2-chloro-5-nitro-phenyl)-1-cyano-vinyl]benzoic acid Formula: C16H9ClN2O4 MolecularWeight: 328.70666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C#N)C(=O)O

InChI

InChI=1S/C16H9ClN2O4/c17-15-6-5-14(19(22)23)8-12(15)7-13(9-18)10-1-3-11(4-2-10)16(20)21/h1-8H,(H,20,21)