5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-nitro-phenolate

Systemtic Name: 5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-nitro-phenolate Openeye Name: 5-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-nitro-phenolate CAS Name: 5-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-nitrophenolate Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-nitro-phenolate Formula: C19H16N3O4S- MolecularWeight: 382.41304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H17N3O4S/c23-16-11-13(5-6-15(16)22(25)26)19(24)21-9-7-12(8-10-21)18-20-14-3-1-2-4-17(14)27-18/h1-6,11-12,23H,7-10H2/p-1