4-[1-cyano-2-[4-(2,4-dinitrophenoxy)phenyl]ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-[4-(2,4-dinitrophenoxy)phenyl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[4-(2,4-dinitrophenoxy)phenyl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[4-(2,4-dinitrophenoxy)phenyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[4-(2,4-dinitrophenoxy)phenyl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[4-(2,4-dinitrophenoxy)phenyl]vinyl]benzoic acid Formula: C22H13N3O7 MolecularWeight: 431.35452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C2=CC=C(C=C2)C(=O)O)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=C(C#N)C2=CC=C(C=C2)C(=O)O)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O7/c23-13-17(15-3-5-16(6-4-15)22(26)27)11-14-1-8-19(9-2-14)32-21-10-7-18(24(28)29)12-20(21)25(30)31/h1-12H,(H,26,27)