1-(cyanomethyl)-2,3-dimethyl-indole-5-carboxylate

Systemtic Name: 1-(cyanomethyl)-2,3-dimethyl-indole-5-carboxylate Openeye Name: 1-(cyanomethyl)-2,3-dimethyl-indole-5-carboxylate CAS Name: 1-(cyanomethyl)-2,3-dimethyl-5-indolecarboxylate IUPAC Name: 1-(cyanomethyl)-2,3-dimethylindole-5-carboxylate Traditional Name: 1-(cyanomethyl)-2,3-dimethyl-indole-5-carboxylate Formula: C13H11N2O2- MolecularWeight: 227.23864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)[O-])CC#N)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)[O-])CC#N)C

InChI

InChI=1S/C13H12N2O2/c1-8-9(2)15(6-5-14)12-4-3-10(13(16)17)7-11(8)12/h3-4,7H,6H2,1-2H3,(H,16,17)/p-1