(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H15ClN2O6S MolecularWeight: 482.893

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H15ClN2O6S/c24-21-6-5-20(33-21)19-9-17(16-3-1-2-4-18(16)25-19)23(27)31-11-14-8-15(26(28)29)7-13-10-30-12-32-22(13)14/h1-9H,10-12H2