N-(4-methyl-1,3-benzothiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C17H13N3O5S/c1-9-3-2-4-14-15(9)18-17(26-14)19-16(21)10-7-12-13(25-6-5-24-12)8-11(10)20(22)23/h2-4,7-8H,5-6H2,1H3,(H,18,19,21)