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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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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-])N3CCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C18H21N3O5/c1-12-16(13(2)26-19-12)11-25-18(22)15-10-14(21(23)24)6-7-17(15)20-8-4-3-5-9-20/h6-7,10H,3-5,8-9,11H2,1-2H3