2-[(3-azanyl-4-methyl-phenyl)amino]-5-nitro-benzenesulfonic acid

Systemtic Name: 2-[(3-azanyl-4-methyl-phenyl)amino]-5-nitro-benzenesulfonic acid Openeye Name: 2-(3-amino-4-methyl-anilino)-5-nitro-benzenesulfonic acid CAS Name: 2-(3-amino-4-methylanilino)-5-nitrobenzenesulfonic acid IUPAC Name: 2-(3-amino-4-methylanilino)-5-nitrobenzenesulfonic acid Traditional Name: 2-(3-amino-4-methyl-anilino)-5-nitro-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-])S(=O)(=O)O)N

Isomeric SMILES

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

InChI

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