2-(diethylamino)-4-[[3-(diethylamino)-5-nitro-4-oxidanyl-phenyl]methyl]-6-nitro-phenol

Systemtic Name: 2-(diethylamino)-4-[[3-(diethylamino)-5-nitro-4-oxidanyl-phenyl]methyl]-6-nitro-phenol Openeye Name: 2-(diethylamino)-4-[[3-(diethylamino)-4-hydroxy-5-nitro-phenyl]methyl]-6-nitro-phenol CAS Name: 2-(diethylamino)-4-[[3-(diethylamino)-4-hydroxy-5-nitrophenyl]methyl]-6-nitrophenol IUPAC Name: 2-(diethylamino)-4-[[3-(diethylamino)-4-hydroxy-5-nitrophenyl]methyl]-6-nitrophenol Traditional Name: 2-(diethylamino)-4-[3-(diethylamino)-4-hydroxy-5-nitro-benzyl]-6-nitro-phenol Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)[N+](=O)[O-])O)N(CC)CC)[N+](=O)[O-])O

Isomeric SMILES

CCN(CC)C1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)[N+](=O)[O-])O)N(CC)CC)[N+](=O)[O-])O

InChI

InChI=1S/C21H28N4O6/c1-5-22(6-2)16-10-14(12-18(20(16)26)24(28)29)9-15-11-17(23(7-3)8-4)21(27)19(13-15)25(30)31/h10-13,26-27H,5-9H2,1-4H3