(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S/c1-14-16(22-20(29-14)19-7-4-12-30-19)13-28-21(25)15-8-10-23(11-9-15)17-5-2-3-6-18(17)24(26)27/h2-7,12,15H,8-11,13H2,1H3