4-nitro-2-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]isoindole-1,3-dione Openeye Name: 2-[2-hydroxy-3-(2-isopropylphenoxy)propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-(2-isopropylphenoxy)propyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H20N2O6/c1-12(2)14-6-3-4-9-17(14)28-11-13(23)10-21-19(24)15-7-5-8-16(22(26)27)18(15)20(21)25/h3-9,12-13,23H,10-11H2,1-2H3