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

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 5-morpholin-4-yl-2-nitro-benzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 5-morpholino-2-nitro-benzoate CAS Name: 5-(4-morpholinyl)-2-nitrobenzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 5-morpholin-4-yl-2-nitrobenzoate Traditional Name: 5-morpholino-2-nitro-benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6/c1-11-8-13(25-17-11)10-24-16(20)14-9-12(2-3-15(14)19(21)22)18-4-6-23-7-5-18/h2-3,8-9H,4-7,10H2,1H3