phenacyl 2-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate

Systemtic Name: phenacyl 2-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: phenacyl 2-[5-(p-tolyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(4-methylphenyl)-2-tetrazolyl]acetic acid phenacyl ester IUPAC Name: phenacyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate Traditional Name: 2-[5-(p-tolyl)tetrazol-2-yl]acetic acid phenacyl ester Formula: C18H16N4O3 MolecularWeight: 336.34464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N4O3/c1-13-7-9-15(10-8-13)18-19-21-22(20-18)11-17(24)25-12-16(23)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3