[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (5,7-dichloro-2-methyl-8-quinolyl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (5,7-dichloro-2-methyl-8-quinolinyl) ester IUPAC Name: (5,7-dichloro-2-methylquinolin-8-yl) 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (5,7-dichloro-2-methyl-8-quinolyl) ester Formula: C23H21Cl2N3O4 MolecularWeight: 474.33654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=C(C=C(C4=C3N=C(C=C4)C)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=C(C=C(C4=C3N=C(C=C4)C)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H21Cl2N3O4/c1-13-7-9-27(10-8-13)19-6-4-15(11-20(19)28(30)31)23(29)32-22-18(25)12-17(24)16-5-3-14(2)26-21(16)22/h3-6,11-13H,7-10H2,1-2H3