2-[[4-[(S)-methylsulfinyl]-2-nitro-phenyl]amino]ethanoic acid

Systemtic Name: 2-[[4-[(S)-methylsulfinyl]-2-nitro-phenyl]amino]ethanoic acid Openeye Name: 2-[4-[(S)-methylsulfinyl]-2-nitro-anilino]acetic acid CAS Name: 2-[4-[(S)-methylsulfinyl]-2-nitroanilino]acetic acid IUPAC Name: 2-[4-[(S)-methylsulfinyl]-2-nitroanilino]acetic acid Traditional Name: 2-[4-[(S)-methylsulfinyl]-2-nitro-anilino]acetic acid Formula: C9H10N2O5S MolecularWeight: 258.2511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC(=C(C=C1)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C[S@](=O)C1=CC(=C(C=C1)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O5S/c1-17(16)6-2-3-7(10-5-9(12)13)8(4-6)11(14)15/h2-4,10H,5H2,1H3,(H,12,13)/t17-/m0/s1