2-[(4-methyl-3-sulfamoyl-phenyl)iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[(4-methyl-3-sulfamoyl-phenyl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-[(4-methyl-3-sulfamoyl-phenyl)iminomethyl]-4-nitro-phenolate CAS Name: 2-[(4-methyl-3-sulfamoylphenyl)iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(4-methyl-3-sulfamoylphenyl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(4-methyl-3-sulfamoyl-phenyl)iminomethyl]-4-nitro-phenolate Formula: C14H12N3O5S- MolecularWeight: 334.32718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])S(=O)(=O)N

InChI

InChI=1S/C14H13N3O5S/c1-9-2-3-11(7-14(9)23(15,21)22)16-8-10-6-12(17(19)20)4-5-13(10)18/h2-8,18H,1H3,(H2,15,21,22)/p-1