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

Systemtic Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [3-(4-chlorophenyl)isoxazol-5-yl]methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [3-(4-chlorophenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [3-(4-chlorophenyl)isoxazol-5-yl]methyl ester Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CC(=NO3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CC(=NO3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN3O6/c22-16-4-1-14(2-5-16)18-12-17(31-23-18)13-30-21(26)15-3-6-19(20(11-15)25(27)28)24-7-9-29-10-8-24/h1-6,11-12H,7-10,13H2