3-cyanopropyl 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: 3-cyanopropyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: 3-cyanopropyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid 3-cyanopropyl ester Formula: C12H11N5O2 MolecularWeight: 257.24804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCC#N)N2C=NN=N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCC#N)N2C=NN=N2

InChI

InChI=1S/C12H11N5O2/c13-7-1-2-8-19-12(18)10-3-5-11(6-4-10)17-9-14-15-16-17/h3-6,9H,1-2,8H2