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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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