[4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [4-(tetrazol-1-yl)phenyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C17H12N4O3 MolecularWeight: 320.30218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OC3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OC3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C17H12N4O3/c1-11-14-4-2-3-5-15(14)24-16(11)17(22)23-13-8-6-12(7-9-13)21-10-18-19-20-21/h2-10H,1H3