(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-pyrazol-1-ylbenzoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-pyrazol-1-ylbenzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C15H16N6O2 MolecularWeight: 312.32654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C15H16N6O2/c1-2-9-21-14(17-18-19-21)11-23-15(22)12-4-6-13(7-5-12)20-10-3-8-16-20/h3-8,10H,2,9,11H2,1H3