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

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3)C

InChI

InChI=1S/C18H16N4O3/c1-12-3-8-16(13(2)9-12)17(23)10-25-18(24)14-4-6-15(7-5-14)22-11-19-20-21-22/h3-9,11H,10H2,1-2H3