N-(5-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(5-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(3-allyl-5-nitro-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide CAS Name: N-(5-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(5-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(3-allyl-5-nitro-1,3-benzothiazol-2-ylidene)-piperonylamide Formula: C18H13N3O5S MolecularWeight: 383.37792

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H13N3O5S/c1-2-7-20-13-9-12(21(23)24)4-6-16(13)27-18(20)19-17(22)11-3-5-14-15(8-11)26-10-25-14/h2-6,8-9H,1,7,10H2