methyl 7-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: methyl 7-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: methyl 7-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 7-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 7-(2H-tetrazol-5-yl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester Formula: C13H12N4O3 MolecularWeight: 272.25938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)C3=NNN=N3)OCC1

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC(=C2)C3=NNN=N3)OCC1

InChI

InChI=1S/C13H12N4O3/c1-19-13(18)9-4-5-20-11-3-2-8(6-10(11)7-9)12-14-16-17-15-12/h2-3,6-7H,4-5H2,1H3,(H,14,15,16,17)