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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-phenylquinoline-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-phenylquinoline-4-carboxylate CAS Name: 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 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H18N2O6 MolecularWeight: 442.42022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18N2O6/c28-25(32-14-18-11-19(27(29)30)10-17-13-31-15-33-24(17)18)21-12-23(16-6-2-1-3-7-16)26-22-9-5-4-8-20(21)22/h1-12H,13-15H2