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

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-iodanylbenzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C14H9IN4O2 MolecularWeight: 392.15133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9IN4O2/c15-11-3-1-2-10(8-11)14(20)21-13-6-4-12(5-7-13)19-9-16-17-18-19/h1-9H