methyl 3-(cyanomethyl)-5-methoxy-indole-1-carboxylate

Systemtic Name: methyl 3-(cyanomethyl)-5-methoxy-indole-1-carboxylate Openeye Name: methyl 3-(cyanomethyl)-5-methoxy-indole-1-carboxylate CAS Name: 3-(cyanomethyl)-5-methoxy-1-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(cyanomethyl)-5-methoxyindole-1-carboxylate Traditional Name: 3-(cyanomethyl)-5-methoxy-indole-1-carboxylic acid methyl ester Formula: C13H12N2O3 MolecularWeight: 244.24598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CC#N)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CC#N)C(=O)OC

InChI

InChI=1S/C13H12N2O3/c1-17-10-3-4-12-11(7-10)9(5-6-14)8-15(12)13(16)18-2/h3-4,7-8H,5H2,1-2H3