5-[(2-azanyl-4-nitro-phenyl)amino]-2-methyl-benzenesulfonic acid

Systemtic Name: 5-[(2-azanyl-4-nitro-phenyl)amino]-2-methyl-benzenesulfonic acid Openeye Name: 5-(2-amino-4-nitro-anilino)-2-methyl-benzenesulfonic acid CAS Name: 5-(2-amino-4-nitroanilino)-2-methylbenzenesulfonic acid IUPAC Name: 5-(2-amino-4-nitroanilino)-2-methylbenzenesulfonic acid Traditional Name: 5-(2-amino-4-nitro-anilino)-2-methyl-besylic acid Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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