(8-chloranyl-3-ethanoyl-5-nitro-2-oxidanylidene-1H-quinolin-4-yl) methyl sulfate

Systemtic Name: (8-chloranyl-3-ethanoyl-5-nitro-2-oxidanylidene-1H-quinolin-4-yl) methyl sulfate Openeye Name: (3-acetyl-8-chloro-5-nitro-2-oxo-1H-quinolin-4-yl) methyl sulfate CAS Name: sulfuric acid (3-acetyl-8-chloro-5-nitro-2-oxo-1H-quinolin-4-yl) methyl ester IUPAC Name: (3-acetyl-8-chloro-5-nitro-2-oxo-1H-quinolin-4-yl) methyl sulfate Traditional Name: sulfuric acid (3-acetyl-8-chloro-2-keto-5-nitro-1H-quinolin-4-yl) methyl ester Formula: C12H9ClN2O8S MolecularWeight: 376.72646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C=CC(=C2NC1=O)Cl)[N+](=O)[O-])OS(=O)(=O)OC

Isomeric SMILES

CC(=O)C1=C(C2=C(C=CC(=C2NC1=O)Cl)[N+](=O)[O-])OS(=O)(=O)OC

InChI

InChI=1S/C12H9ClN2O8S/c1-5(16)8-11(23-24(20,21)22-2)9-7(15(18)19)4-3-6(13)10(9)14-12(8)17/h3-4H,1-2H3,(H,14,17)