2-(4-azanyl-2,6-dimethyl-phenyl)sulfanyl-2-nitro-ethanoic acid

Systemtic Name: 2-(4-azanyl-2,6-dimethyl-phenyl)sulfanyl-2-nitro-ethanoic acid Openeye Name: 2-(4-amino-2,6-dimethyl-phenyl)sulfanyl-2-nitro-acetic acid CAS Name: 2-[(4-amino-2,6-dimethylphenyl)thio]-2-nitroacetic acid IUPAC Name: 2-(4-amino-2,6-dimethylphenyl)sulfanyl-2-nitroacetic acid Traditional Name: 2-[(4-amino-2,6-dimethyl-phenyl)thio]-2-nitro-acetic acid Formula: C10H12N2O4S MolecularWeight: 256.27828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC(C(=O)O)[N+](=O)[O-])C)N

Isomeric SMILES

CC1=CC(=CC(=C1SC(C(=O)O)[N+](=O)[O-])C)N

InChI

InChI=1S/C10H12N2O4S/c1-5-3-7(11)4-6(2)8(5)17-9(10(13)14)12(15)16/h3-4,9H,11H2,1-2H3,(H,13,14)