2-[(E)-2-(5-cyano-1,2-dimethyl-pyrrol-3-yl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(5-cyano-1,2-dimethyl-pyrrol-3-yl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(5-cyano-1,2-dimethyl-pyrrol-3-yl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(5-cyano-1,2-dimethyl-3-pyrrolyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(5-cyano-1,2-dimethylpyrrol-3-yl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(5-cyano-1,2-dimethyl-pyrrol-3-yl)vinyl]cinchoninic acid Formula: C19H15N3O2 MolecularWeight: 317.3413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C19H15N3O2/c1-12-13(9-15(11-20)22(12)2)7-8-14-10-17(19(23)24)16-5-3-4-6-18(16)21-14/h3-10H,1-2H3,(H,23,24)/b8-7+