ethyl 2-[2-(1,3-benzodioxol-5-ylcarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(1,3-benzodioxol-5-ylcarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1,3-benzodioxole-5-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzodioxol-5-yl(oxo)methyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzodioxole-5-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(5-nitro-2-piperonyloylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C19H15N3O7S MolecularWeight: 429.4033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H15N3O7S/c1-2-27-17(23)9-21-13-8-12(22(25)26)4-6-16(13)30-19(21)20-18(24)11-3-5-14-15(7-11)29-10-28-14/h3-8H,2,9-10H2,1H3