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

Systemtic Name: 2-[(4-azanyl-3-chloranyl-phenyl)amino]-5-nitro-benzenesulfonic acid Openeye Name: 2-(4-amino-3-chloro-anilino)-5-nitro-benzenesulfonic acid CAS Name: 2-(4-amino-3-chloroanilino)-5-nitrobenzenesulfonic acid IUPAC Name: 2-(4-amino-3-chloroanilino)-5-nitrobenzenesulfonic acid Traditional Name: 2-(4-amino-3-chloro-anilino)-5-nitro-besylic acid Formula: C12H10ClN3O5S MolecularWeight: 343.7429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)Cl)N

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)Cl)N

InChI

InChI=1S/C12H10ClN3O5S/c13-9-5-7(1-3-10(9)14)15-11-4-2-8(16(17)18)6-12(11)22(19,20)21/h1-6,15H,14H2,(H,19,20,21)