4-[[4-(diethylamino)-2-methyl-phenyl]amino]-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 4-[[4-(diethylamino)-2-methyl-phenyl]amino]-3,5-dinitro-benzenesulfonic acid Openeye Name: 4-[4-(diethylamino)-2-methyl-anilino]-3,5-dinitro-benzenesulfonic acid CAS Name: 4-[4-(diethylamino)-2-methylanilino]-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-[4-(diethylamino)-2-methylanilino]-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-[4-(diethylamino)-2-methyl-anilino]-3,5-dinitro-besylic acid Formula: C17H20N4O7S MolecularWeight: 424.4283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O7S/c1-4-19(5-2)12-6-7-14(11(3)8-12)18-17-15(20(22)23)9-13(29(26,27)28)10-16(17)21(24)25/h6-10,18H,4-5H2,1-3H3,(H,26,27,28)