(2-phenyl-1,3-thiazol-4-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-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)[N+](=O)[O-])C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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