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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-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-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C26H19ClN2O6 MolecularWeight: 490.89186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C26H19ClN2O6/c1-15-23(21-7-2-3-8-22(21)28-24(15)16-5-4-6-19(27)9-16)26(30)34-13-18-11-20(29(31)32)10-17-12-33-14-35-25(17)18/h2-11H,12-14H2,1H3