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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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