(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C18H15ClN4O4 MolecularWeight: 386.7891

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC3=NN=NN3C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC3=NN=NN3C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C18H15ClN4O4/c19-14-9-12(10-15-17(14)26-8-4-7-25-15)18(24)27-11-16-20-21-22-23(16)13-5-2-1-3-6-13/h1-3,5-6,9-10H,4,7-8,11H2