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

Systemtic Name: 3-cyano-2-ethyl-azulene-1-carboxylic acid Openeye Name: 3-cyano-2-ethyl-azulene-1-carboxylic acid CAS Name: 3-cyano-2-ethyl-1-azulenecarboxylic acid IUPAC Name: 3-cyano-2-ethylazulene-1-carboxylic acid Traditional Name: 3-cyano-2-ethyl-azulene-1-carboxylic acid Formula: C14H11NO2 MolecularWeight: 225.24264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=CC2=C1C(=O)O)C#N

Isomeric SMILES

CCC1=C(C2=CC=CC=CC2=C1C(=O)O)C#N

InChI

InChI=1S/C14H11NO2/c1-2-9-12(8-15)10-6-4-3-5-7-11(10)13(9)14(16)17/h3-7H,2H2,1H3,(H,16,17)