2-[(2-methoxyphenyl)amino]-5-nitro-benzenesulfonic acid

Systemtic Name: 2-[(2-methoxyphenyl)amino]-5-nitro-benzenesulfonic acid Openeye Name: 2-(2-methoxyanilino)-5-nitro-benzenesulfonic acid CAS Name: 2-(2-methoxyanilino)-5-nitrobenzenesulfonic acid IUPAC Name: 2-(2-methoxyanilino)-5-nitrobenzenesulfonic acid Traditional Name: 5-nitro-2-(o-anisidino)besylic acid Formula: C13H12N2O6S MolecularWeight: 324.30918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C13H12N2O6S/c1-21-12-5-3-2-4-10(12)14-11-7-6-9(15(16)17)8-13(11)22(18,19)20/h2-8,14H,1H3,(H,18,19,20)