4-[(Z)-1-cyano-2-(1-pyridin-3-ylpyrrol-2-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(Z)-1-cyano-2-(1-pyridin-3-ylpyrrol-2-yl)ethenyl]benzoic acid Openeye Name: 4-[(Z)-1-cyano-2-[1-(3-pyridyl)pyrrol-2-yl]vinyl]benzoic acid CAS Name: 4-[(Z)-1-cyano-2-[1-(3-pyridinyl)-2-pyrrolyl]ethenyl]benzoic acid IUPAC Name: 4-[(Z)-1-cyano-2-(1-pyridin-3-ylpyrrol-2-yl)ethenyl]benzoic acid Traditional Name: 4-[(Z)-1-cyano-2-[1-(3-pyridyl)pyrrol-2-yl]vinyl]benzoic acid Formula: C19H13N3O2 MolecularWeight: 315.32542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)N2C=CC=C2C=C(C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)N2C=CC=C2/C=C(\C#N)/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H13N3O2/c20-12-16(14-5-7-15(8-6-14)19(23)24)11-17-4-2-10-22(17)18-3-1-9-21-13-18/h1-11,13H,(H,23,24)/b16-11+