pent-4-ynyl 4-(1-methyl-1,2,3,4-tetrazol-5-yl)benzoate

Systemtic Name: pent-4-ynyl 4-(1-methyl-1,2,3,4-tetrazol-5-yl)benzoate Openeye Name: pent-4-ynyl 4-(1-methyltetrazol-5-yl)benzoate CAS Name: 4-(1-methyl-5-tetrazolyl)benzoic acid pent-4-ynyl ester IUPAC Name: pent-4-ynyl 4-(1-methyltetrazol-5-yl)benzoate Traditional Name: 4-(1-methyltetrazol-5-yl)benzoic acid pent-4-ynyl ester Formula: C14H14N4O2 MolecularWeight: 270.28656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)C2=CC=C(C=C2)C(=O)OCCCC#C

Isomeric SMILES

CN1C(=NN=N1)C2=CC=C(C=C2)C(=O)OCCCC#C

InChI

InChI=1S/C14H14N4O2/c1-3-4-5-10-20-14(19)12-8-6-11(7-9-12)13-15-16-17-18(13)2/h1,6-9H,4-5,10H2,2H3