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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=COC(=N3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=COC(=N3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c24-20(28-13-15-12-27-19(21-15)18-5-4-10-29-18)14-6-7-16(17(11-14)23(25)26)22-8-2-1-3-9-22/h4-7,10-12H,1-3,8-9,13H2