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

Systemtic Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(2-chlorophenyl)thiazol-4-yl]methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-(2-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(2-chlorophenyl)thiazol-4-yl]methyl ester Formula: C21H18ClN3O5S MolecularWeight: 459.90272

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CSC(=N3)C4=CC=CC=C4Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CSC(=N3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H18ClN3O5S/c22-18-4-2-1-3-16(18)20-23-14(13-31-20)12-30-21(26)17-11-15(25(27)28)5-6-19(17)24-7-9-29-10-8-24/h1-6,11,13H,7-10,12H2