2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-nitro-4-phenyl-quinolin-3-yl]ethanoic acid

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-nitro-4-phenyl-quinolin-3-yl]ethanoic acid Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-nitro-4-phenyl-3-quinolyl]acetic acid CAS Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-nitro-4-phenyl-3-quinolinyl]acetic acid IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-nitro-4-phenylquinolin-3-yl]acetic acid Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-nitro-4-phenyl-3-quinolyl]acetic acid Formula: C25H18N2O6 MolecularWeight: 442.42022

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C(=C4C=C(C=CC4=N3)[N+](=O)[O-])C5=CC=CC=C5)CC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C(=C4C=C(C=CC4=N3)[N+](=O)[O-])C5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C25H18N2O6/c28-23(29)14-19-24(15-4-2-1-3-5-15)18-13-17(27(30)31)7-8-20(18)26-25(19)16-6-9-21-22(12-16)33-11-10-32-21/h1-9,12-13H,10-11,14H2,(H,28,29)