N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-piperonylamide Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H15N3O6S/c1-25-7-6-20-13-9-12(21(23)24)3-5-16(13)28-18(20)19-17(22)11-2-4-14-15(8-11)27-10-26-14/h2-5,8-9H,6-7,10H2,1H3