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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=NO3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=NO3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N3O5/c1-12-6-13(2)10-21(9-12)17-5-4-15(8-18(17)22(24)25)19(23)26-11-16-7-14(3)20-27-16/h4-5,7-8,12-13H,6,9-11H2,1-3H3