ethyl 1-isoquinolin-1-yl-1,2,3,4-tetrazole-5-carboxylate

Systemtic Name: ethyl 1-isoquinolin-1-yl-1,2,3,4-tetrazole-5-carboxylate Openeye Name: ethyl 1-(1-isoquinolyl)tetrazole-5-carboxylate CAS Name: 1-(1-isoquinolinyl)-5-tetrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-isoquinolin-1-yltetrazole-5-carboxylate Traditional Name: 1-(1-isoquinolyl)tetrazole-5-carboxylic acid ethyl ester Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN=NN1C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=NN=NN1C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C13H11N5O2/c1-2-20-13(19)12-15-16-17-18(12)11-10-6-4-3-5-9(10)7-8-14-11/h3-8H,2H2,1H3