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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5/c1-12-9-14(18-25-12)11-24-17(21)13-5-6-15(16(10-13)20(22)23)19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8,11H2,1H3