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

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2,3-dihydro-1,4-benzodioxin-3-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-benzodioxine-3-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-3-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H15N3O7S MolecularWeight: 429.4033

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H15N3O7S/c1-27-17(23)9-21-12-8-11(22(25)26)6-7-16(12)30-19(21)20-18(24)15-10-28-13-4-2-3-5-14(13)29-15/h2-8,15H,9-10H2,1H3