methyl 2-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-p-dioxin-5-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C15H13N3O7S MolecularWeight: 379.34462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=COCCO3

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=COCCO3

InChI

InChI=1S/C15H13N3O7S/c1-23-13(19)7-17-10-6-9(18(21)22)2-3-12(10)26-15(17)16-14(20)11-8-24-4-5-25-11/h2-3,6,8H,4-5,7H2,1H3