3-cyano-2-methyl-azulene-1-carboxylic acid

Systemtic Name: 3-cyano-2-methyl-azulene-1-carboxylic acid Openeye Name: 3-cyano-2-methyl-azulene-1-carboxylic acid CAS Name: 3-cyano-2-methyl-1-azulenecarboxylic acid IUPAC Name: 3-cyano-2-methylazulene-1-carboxylic acid Traditional Name: 3-cyano-2-methyl-azulene-1-carboxylic acid Formula: C13H9NO2 MolecularWeight: 211.21606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=CC2=C1C(=O)O)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=CC2=C1C(=O)O)C#N

InChI

InChI=1S/C13H9NO2/c1-8-11(7-14)9-5-3-2-4-6-10(9)12(8)13(15)16/h2-6H,1H3,(H,15,16)