(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-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-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H18N2O7 MolecularWeight: 446.40892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C24H18N2O7/c1-14-6-7-22(33-14)21-10-19(18-4-2-3-5-20(18)25-21)24(27)31-12-16-9-17(26(28)29)8-15-11-30-13-32-23(15)16/h2-10H,11-13H2,1H3