2-[2-(2-methoxy-5-methyl-phenyl)-6-nitro-4-phenyl-quinolin-3-yl]ethanoic acid hydrochloride

Systemtic Name: 2-[2-(2-methoxy-5-methyl-phenyl)-6-nitro-4-phenyl-quinolin-3-yl]ethanoic acid hydrochloride Openeye Name: 2-[2-(2-methoxy-5-methyl-phenyl)-6-nitro-4-phenyl-3-quinolyl]acetic acid hydrochloride CAS Name: 2-[2-(2-methoxy-5-methylphenyl)-6-nitro-4-phenyl-3-quinolinyl]acetic acid hydrochloride IUPAC Name: 2-[2-(2-methoxy-5-methylphenyl)-6-nitro-4-phenylquinolin-3-yl]acetic acid hydrochloride Traditional Name: 2-[2-(2-methoxy-5-methyl-phenyl)-6-nitro-4-phenyl-3-quinolyl]acetic acid hydrochloride Formula: C25H21ClN2O5 MolecularWeight: 464.89764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O5.ClH/c1-15-8-11-22(32-2)19(12-15)25-20(14-23(28)29)24(16-6-4-3-5-7-16)18-13-17(27(30)31)9-10-21(18)26-25;/h3-13H,14H2,1-2H3,(H,28,29);1H