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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C26H20N2O6 MolecularWeight: 456.4468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O6/c1-16-23(21-9-5-6-10-22(21)27-24(16)17-7-3-2-4-8-17)26(29)33-14-19-12-20(28(30)31)11-18-13-32-15-34-25(18)19/h2-12H,13-15H2,1H3