(2-chloranyl-4-nitro-phenyl) 1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate CAS Name: 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate Traditional Name: 1-keto-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylic acid (2-chloro-4-nitro-phenyl) ester Formula: C17H11ClN2O5S MolecularWeight: 390.79764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(N(C1=O)C3=CC=CC=C3S2)C(=O)OC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC2(N(C1=O)C3=CC=CC=C3S2)C(=O)OC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H11ClN2O5S/c18-11-9-10(20(23)24)5-6-13(11)25-16(22)17-8-7-15(21)19(17)12-3-1-2-4-14(12)26-17/h1-6,9H,7-8H2