2-azanyl-5-methoxy-4-nitro-benzenesulfonic acid

Systemtic Name: 2-azanyl-5-methoxy-4-nitro-benzenesulfonic acid Openeye Name: 2-amino-5-methoxy-4-nitro-benzenesulfonic acid CAS Name: 2-amino-5-methoxy-4-nitrobenzenesulfonic acid IUPAC Name: 2-amino-5-methoxy-4-nitrobenzenesulfonic acid Traditional Name: 2-amino-5-methoxy-4-nitro-besylic acid Formula: C7H8N2O6S MolecularWeight: 248.21322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)S(=O)(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1)S(=O)(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C7H8N2O6S/c1-15-6-3-7(16(12,13)14)4(8)2-5(6)9(10)11/h2-3H,8H2,1H3,(H,12,13,14)