[2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-[(4-chlorophenoxy)methyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl ester Formula: C22H20ClN3O6S MolecularWeight: 489.9287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CSC(=N3)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CSC(=N3)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O6S/c23-15-1-4-18(5-2-15)31-13-21-24-16(14-33-21)12-32-22(27)19-11-17(26(28)29)3-6-20(19)25-7-9-30-10-8-25/h1-6,11,14H,7-10,12-13H2