5-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]-2-nitro-phenolate Openeye Name: 5-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]-2-nitro-phenolate CAS Name: 5-[[3-(1,3-benzothiazol-2-yl)propylamino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]-2-nitrophenolate Traditional Name: 5-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]-2-nitro-phenolate Formula: C17H14N3O4S- MolecularWeight: 356.37576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H15N3O4S/c21-14-10-11(7-8-13(14)20(23)24)17(22)18-9-3-6-16-19-12-4-1-2-5-15(12)25-16/h1-2,4-5,7-8,10,21H,3,6,9H2,(H,18,22)/p-1