1,3-benzothiazol-2-ylmethyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c24-20(27-13-19-21-15-6-2-3-7-18(15)28-19)14-8-9-16(17(12-14)23(25)26)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2