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

Systemtic Name: [5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (5,7-dichloro-2-methyl-8-quinolyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (5,7-dichloro-2-methyl-8-quinolinyl) ester IUPAC Name: (5,7-dichloro-2-methylquinolin-8-yl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (5,7-dichloro-2-methyl-8-quinolyl) ester Formula: C21H17Cl2N3O5 MolecularWeight: 462.28278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C21H17Cl2N3O5/c1-12-2-4-14-15(22)11-16(23)20(19(14)24-12)31-21(27)13-3-5-17(18(10-13)26(28)29)25-6-8-30-9-7-25/h2-5,10-11H,6-9H2,1H3