methyl 2-[6-nitro-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-nitro-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-nitro-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[(5-nitro-2-furanyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-nitro-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-(5-nitro-2-furoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C15H10N4O8S MolecularWeight: 406.3269

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O8S/c1-26-13(20)7-17-9-3-2-8(18(22)23)6-11(9)28-15(17)16-14(21)10-4-5-12(27-10)19(24)25/h2-6H,7H2,1H3