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

Systemtic Name: 4-[[2-chloranyl-4-(dimethylamino)phenyl]amino]-3-nitro-benzenesulfonic acid Openeye Name: 4-[2-chloro-4-(dimethylamino)anilino]-3-nitro-benzenesulfonic acid CAS Name: 4-[2-chloro-4-(dimethylamino)anilino]-3-nitrobenzenesulfonic acid IUPAC Name: 4-[2-chloro-4-(dimethylamino)anilino]-3-nitrobenzenesulfonic acid Traditional Name: 4-[2-chloro-4-(dimethylamino)anilino]-3-nitro-besylic acid Formula: C14H14ClN3O5S MolecularWeight: 371.79606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O5S/c1-17(2)9-3-5-12(11(15)7-9)16-13-6-4-10(24(21,22)23)8-14(13)18(19)20/h3-8,16H,1-2H3,(H,21,22,23)