2-ethyl-4-[2-(3-ethyl-5-nitro-4-oxidanyl-phenyl)propan-2-yl]-6-nitro-phenol

Systemtic Name: 2-ethyl-4-[2-(3-ethyl-5-nitro-4-oxidanyl-phenyl)propan-2-yl]-6-nitro-phenol Openeye Name: 2-ethyl-4-[1-(3-ethyl-4-hydroxy-5-nitro-phenyl)-1-methyl-ethyl]-6-nitro-phenol CAS Name: 2-ethyl-4-[2-(3-ethyl-4-hydroxy-5-nitrophenyl)propan-2-yl]-6-nitrophenol IUPAC Name: 2-ethyl-4-[2-(3-ethyl-4-hydroxy-5-nitrophenyl)propan-2-yl]-6-nitrophenol Traditional Name: 2-ethyl-4-[1-(3-ethyl-4-hydroxy-5-nitro-phenyl)-1-methyl-ethyl]-6-nitro-phenol Formula: C19H22N2O6 MolecularWeight: 374.38778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)C(C)(C)C2=CC(=C(C(=C2)[N+](=O)[O-])O)CC)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(C(=CC(=C1)C(C)(C)C2=CC(=C(C(=C2)[N+](=O)[O-])O)CC)[N+](=O)[O-])O

InChI

InChI=1S/C19H22N2O6/c1-5-11-7-13(9-15(17(11)22)20(24)25)19(3,4)14-8-12(6-2)18(23)16(10-14)21(26)27/h7-10,22-23H,5-6H2,1-4H3