(2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-nitrobenzoate

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-nitrobenzoate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S/c23-18(13-4-6-14(7-5-13)22(24)25)26-15-8-9-16-17(12-15)27-19(20-16)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2