1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-phenyltetrazol-5-one Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-phenyl-tetrazol-5-one Formula: C16H13BrN4O3 MolecularWeight: 389.20342

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CN3C(=O)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CN3C(=O)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C16H13BrN4O3/c17-13-9-15-14(23-6-7-24-15)8-11(13)10-20-16(22)21(19-18-20)12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2