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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-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=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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