N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C17H13N3O6S/c1-24-12-6-9(20(22)23)7-14-15(12)18-17(27-14)19-16(21)13-8-25-10-4-2-3-5-11(10)26-13/h2-7,13H,8H2,1H3,(H,18,19,21)