[4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-ethylbenzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-ethylbenzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C16H14N4O2/c1-2-12-3-5-13(6-4-12)16(21)22-15-9-7-14(8-10-15)20-11-17-18-19-20/h3-11H,2H2,1H3