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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-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-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C29H20N2O6 MolecularWeight: 492.4789

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65)[N+](=O)[O-]

InChI

InChI=1S/C29H20N2O6/c32-29(36-16-20-13-21(31(33)34)12-19-15-35-17-37-28(19)20)25-14-27(30-26-11-4-3-9-24(25)26)23-10-5-7-18-6-1-2-8-22(18)23/h1-14H,15-17H2