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

Systemtic Name: ethyl 2-[5-nitro-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-nitro-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5-nitro-2-[(5-nitro-2-furanyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-nitro-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-(5-nitro-2-furoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C16H12N4O8S MolecularWeight: 420.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O8S/c1-2-27-14(21)8-18-10-7-9(19(23)24)3-5-12(10)29-16(18)17-15(22)11-4-6-13(28-11)20(25)26/h3-7H,2,8H2,1H3