N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-p-dioxin-5-carboxamide Formula: C15H11N3O5S MolecularWeight: 345.32994

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=COCCO3

Isomeric SMILES

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=COCCO3

InChI

InChI=1S/C15H11N3O5S/c1-2-5-17-11-8-10(18(20)21)3-4-13(11)24-15(17)16-14(19)12-9-22-6-7-23-12/h1,3-4,8-9H,5-7H2