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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl quinoline-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H14N2O6 MolecularWeight: 366.32426

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=NC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=NC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O6/c22-19(17-6-5-12-3-1-2-4-16(12)20-17)26-10-14-8-15(21(23)24)7-13-9-25-11-27-18(13)14/h1-8H,9-11H2