4-[(4-azanyl-2,3-dimethyl-phenyl)amino]-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 4-[(4-azanyl-2,3-dimethyl-phenyl)amino]-3,5-dinitro-benzenesulfonic acid Openeye Name: 4-(4-amino-2,3-dimethyl-anilino)-3,5-dinitro-benzenesulfonic acid CAS Name: 4-(4-amino-2,3-dimethylanilino)-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-(4-amino-2,3-dimethylanilino)-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-(4-amino-2,3-dimethyl-anilino)-3,5-dinitro-besylic acid Formula: C14H14N4O7S MolecularWeight: 382.34856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])N

Isomeric SMILES

CC1=C(C=CC(=C1C)NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])N

InChI

InChI=1S/C14H14N4O7S/c1-7-8(2)11(4-3-10(7)15)16-14-12(17(19)20)5-9(26(23,24)25)6-13(14)18(21)22/h3-6,16H,15H2,1-2H3,(H,23,24,25)