2-(5-methyl-4-oxidanyl-2-propan-2-yl-phenyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(5-methyl-4-oxidanyl-2-propan-2-yl-phenyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(4-hydroxy-2-isopropyl-5-methyl-phenyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(4-hydroxy-2-isopropyl-5-methyl-phenyl)-5-nitro-isoindoline-1,3-quinone Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1O)C(C)C)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1O)C(C)C)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5/c1-9(2)13-8-16(21)10(3)6-15(13)19-17(22)12-5-4-11(20(24)25)7-14(12)18(19)23/h4-9,21H,1-3H3