2-[(2-methyl-4-nitro-phenyl)amino]benzenesulfonic acid

Systemtic Name: 2-[(2-methyl-4-nitro-phenyl)amino]benzenesulfonic acid Openeye Name: 2-(2-methyl-4-nitro-anilino)benzenesulfonic acid CAS Name: 2-(2-methyl-4-nitroanilino)benzenesulfonic acid IUPAC Name: 2-(2-methyl-4-nitroanilino)benzenesulfonic acid Traditional Name: 2-(2-methyl-4-nitro-anilino)besylic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C13H12N2O5S/c1-9-8-10(15(16)17)6-7-11(9)14-12-4-2-3-5-13(12)21(18,19)20/h2-8,14H,1H3,(H,18,19,20)