(2-phenyl-1,3-thiazol-4-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5S/c25-21(29-13-17-14-30-20(22-17)15-4-2-1-3-5-15)16-6-7-18(19(12-16)24(26)27)23-8-10-28-11-9-23/h1-7,12,14H,8-11,13H2