2-(4-cyanophenoxy)ethyl 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: 2-(4-cyanophenoxy)ethyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid 2-(4-cyanophenoxy)ethyl ester Formula: C17H13N5O3 MolecularWeight: 335.31682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCCOC(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C1=CC(=CC=C1C#N)OCCOC(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C17H13N5O3/c18-11-13-1-7-16(8-2-13)24-9-10-25-17(23)14-3-5-15(6-4-14)22-12-19-20-21-22/h1-8,12H,9-10H2