2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]iminomethyl]-4-nitro-phenolate Formula: C19H16N5O5S- MolecularWeight: 426.42584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C19H17N5O5S/c1-12-9-13(2)22-19(21-12)23-30(28,29)17-6-3-15(4-7-17)20-11-14-10-16(24(26)27)5-8-18(14)25/h3-11,25H,1-2H3,(H,21,22,23)/p-1