3-(5-cyano-1-methyl-indol-3-yl)propanoate

Systemtic Name: 3-(5-cyano-1-methyl-indol-3-yl)propanoate Openeye Name: 3-(5-cyano-1-methyl-indol-3-yl)propanoate CAS Name: 3-(5-cyano-1-methyl-3-indolyl)propanoate IUPAC Name: 3-(5-cyano-1-methylindol-3-yl)propanoate Traditional Name: 3-(5-cyano-1-methyl-indol-3-yl)propionate Formula: C13H11N2O2- MolecularWeight: 227.23864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C#N)CCC(=O)[O-]

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C#N)CCC(=O)[O-]

InChI

InChI=1S/C13H12N2O2/c1-15-8-10(3-5-13(16)17)11-6-9(7-14)2-4-12(11)15/h2,4,6,8H,3,5H2,1H3,(H,16,17)/p-1