[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C14H8N4O8S MolecularWeight: 392.30032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C14H8N4O8S/c19-11(6-25-13(20)9-3-4-12(26-9)18(23)24)16-14-15-8-2-1-7(17(21)22)5-10(8)27-14/h1-5H,6H2,(H,15,16,19)