4-[2-[2-cyano-2-(3-nitrophenyl)ethenyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2-[2-cyano-2-(3-nitrophenyl)ethenyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-[2-cyano-2-(3-nitrophenyl)vinyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2-[2-cyano-2-(3-nitrophenyl)ethenyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-[2-cyano-2-(3-nitrophenyl)ethenyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-[2-cyano-2-(3-nitrophenyl)vinyl]pyrrol-1-yl]benzoic acid Formula: C20H13N3O4 MolecularWeight: 359.33492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=CC2=CC=CN2C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=CC2=CC=CN2C3=CC=C(C=C3)C(=O)O)C#N

InChI

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