4-chloranyl-2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-6-nitro-phenolate Formula: C16H11ClN3O3S- MolecularWeight: 360.79484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl)C

InChI

InChI=1S/C16H12ClN3O3S/c1-8-3-9(2)14-13(4-8)24-16(19-14)18-7-10-5-11(17)6-12(15(10)21)20(22)23/h3-7,21H,1-2H3/p-1