2-[2-(2,5-dimethylphenyl)-6-nitro-4-phenyl-quinolin-3-yl]ethanoic acid

Systemtic Name: 2-[2-(2,5-dimethylphenyl)-6-nitro-4-phenyl-quinolin-3-yl]ethanoic acid Openeye Name: 2-[2-(2,5-dimethylphenyl)-6-nitro-4-phenyl-3-quinolyl]acetic acid CAS Name: 2-[2-(2,5-dimethylphenyl)-6-nitro-4-phenyl-3-quinolinyl]acetic acid IUPAC Name: 2-[2-(2,5-dimethylphenyl)-6-nitro-4-phenylquinolin-3-yl]acetic acid Traditional Name: 2-[2-(2,5-dimethylphenyl)-6-nitro-4-phenyl-3-quinolyl]acetic acid Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(C(=C3C=C(C=CC3=N2)[N+](=O)[O-])C4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(C(=C3C=C(C=CC3=N2)[N+](=O)[O-])C4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C25H20N2O4/c1-15-8-9-16(2)19(12-15)25-21(14-23(28)29)24(17-6-4-3-5-7-17)20-13-18(27(30)31)10-11-22(20)26-25/h3-13H,14H2,1-2H3,(H,28,29)