4-[1-cyano-2-[1-(4-nitrophenyl)pyrrol-2-yl]ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-[1-(4-nitrophenyl)pyrrol-2-yl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[1-(4-nitrophenyl)pyrrol-2-yl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[1-(4-nitrophenyl)-2-pyrrolyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[1-(4-nitrophenyl)pyrrol-2-yl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[1-(4-nitrophenyl)pyrrol-2-yl]vinyl]benzoic acid Formula: C20H13N3O4 MolecularWeight: 359.33492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13N3O4/c21-13-16(14-3-5-15(6-4-14)20(24)25)12-19-2-1-11-22(19)17-7-9-18(10-8-17)23(26)27/h1-12H,(H,24,25)