4-[(4-azanyl-2-methyl-phenyl)amino]-3-nitro-benzenesulfonic acid

Systemtic Name: 4-[(4-azanyl-2-methyl-phenyl)amino]-3-nitro-benzenesulfonic acid Openeye Name: 4-(4-amino-2-methyl-anilino)-3-nitro-benzenesulfonic acid CAS Name: 4-(4-amino-2-methylanilino)-3-nitrobenzenesulfonic acid IUPAC Name: 4-(4-amino-2-methylanilino)-3-nitrobenzenesulfonic acid Traditional Name: 4-(4-amino-2-methyl-anilino)-3-nitro-besylic acid Formula: C13H13N3O5S MolecularWeight: 323.32442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N)NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5S/c1-8-6-9(14)2-4-11(8)15-12-5-3-10(22(19,20)21)7-13(12)16(17)18/h2-7,15H,14H2,1H3,(H,19,20,21)