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

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C19H15ClN2O7S MolecularWeight: 450.8496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O7S/c1-28-14-5-3-11-7-13(18(20)21-15(11)9-14)10-29-19(23)12-4-6-17(30(2,26)27)16(8-12)22(24)25/h3-9H,10H2,1-2H3