(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C22H20ClN3O6 MolecularWeight: 457.8637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl

InChI

InChI=1S/C22H20ClN3O6/c1-30-17-4-2-14-10-15(21(23)24-19(14)12-17)13-32-22(27)18-11-16(26(28)29)3-5-20(18)25-6-8-31-9-7-25/h2-5,10-12H,6-9,13H2,1H3