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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=C(ON=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=C(ON=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5/c1-12-5-4-8-21(10-12)17-7-6-15(9-18(17)22(24)25)19(23)26-11-16-13(2)20-27-14(16)3/h6-7,9,12H,4-5,8,10-11H2,1-3H3