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

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylcarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H13N3O7S MolecularWeight: 415.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O7S/c1-26-16(22)8-20-12-7-11(21(24)25)3-5-15(12)29-18(20)19-17(23)10-2-4-13-14(6-10)28-9-27-13/h2-7H,8-9H2,1H3