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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5S/c20-15(9-1-4-12-13(7-9)24-6-5-23-12)18-16-17-11-3-2-10(19(21)22)8-14(11)25-16/h1-4,7-8H,5-6H2,(H,17,18,20)