(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H19N3O6/c1-11-15(12(2)26-18-11)10-25-17(21)14-9-13(20(22)23)3-4-16(14)19-5-7-24-8-6-19/h3-4,9H,5-8,10H2,1-2H3