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

Systemtic Name: 3-[2-[2-cyano-2-(3-nitrophenyl)ethenyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[2-cyano-2-(3-nitrophenyl)vinyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[2-cyano-2-(3-nitrophenyl)ethenyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[2-cyano-2-(3-nitrophenyl)ethenyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[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)N2C=CC=C2C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=C2C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

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