(2-phenyl-1,3-thiazol-4-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c26-22(29-14-18-15-30-21(23-18)16-7-3-1-4-8-16)17-9-10-19(20(13-17)25(27)28)24-11-5-2-6-12-24/h1,3-4,7-10,13,15H,2,5-6,11-12,14H2