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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-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:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H13N3O5S/c21-17(18-9-16-19-11-3-1-2-4-15(11)26-16)10-7-13-14(25-6-5-24-13)8-12(10)20(22)23/h1-4,7-8H,5-6,9H2,(H,18,21)