1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-thienyl)tetrazol-5-one Formula: C14H11N5O5S MolecularWeight: 361.33264

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CN3C(=O)N(N=N3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CN3C(=O)N(N=N3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O5S/c20-14-17(15-16-18(14)12-2-1-3-25-12)6-9-4-11(19(21)22)5-10-7-23-8-24-13(9)10/h1-5H,6-8H2