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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NOC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NOC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5/c1-12-5-7-20(8-6-12)16-4-3-14(10-17(16)21(23)24)18(22)25-11-15-9-13(2)26-19-15/h3-4,9-10,12H,5-8,11H2,1-2H3