(2R)-1-(1,3-benzothiazol-2-yl)-3-ethanoyl-2-(4-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-1-(1,3-benzothiazol-2-yl)-3-ethanoyl-2-(4-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-1-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-1-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-1-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-1-(1,3-benzothiazol-2-yl)-2-keto-5-(4-nitrophenyl)-3-pyrrolin-3-olate Formula: C19H12N3O5S- MolecularWeight: 394.38068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C19H13N3O5S/c1-10(23)15-16(11-6-8-12(9-7-11)22(26)27)21(18(25)17(15)24)19-20-13-4-2-3-5-14(13)28-19/h2-9,16,24H,1H3/p-1/t16-/m1/s1