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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[5-(2-thienyl)tetrazol-2-yl]acetate CAS Name: 2-(5-thiophen-2-yl-2-tetrazolyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-thiophen-2-yltetrazol-2-yl)acetate Traditional Name: 2-[5-(2-thienyl)tetrazol-2-yl]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H13N5O6S MolecularWeight: 403.36932

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CN3N=C(N=N3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CN3N=C(N=N3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O6S/c22-14(6-20-18-16(17-19-20)13-2-1-3-28-13)26-8-11-5-12(21(23)24)4-10-7-25-9-27-15(10)11/h1-5H,6-9H2