[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 2-(tetrazol-1-yl)benzoate CAS Name: 2-(1-tetrazolyl)benzoic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate Traditional Name: 2-(tetrazol-1-yl)benzoic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N3C=NN=N3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N3C=NN=N3

InChI

InChI=1S/C20H20N4O3/c1-2-3-6-15-9-11-16(12-10-15)19(25)13-27-20(26)17-7-4-5-8-18(17)24-14-21-22-23-24/h4-5,7-12,14H,2-3,6,13H2,1H3