2-(2-methyl-6-propan-2-yl-phenyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(2-methyl-6-propan-2-yl-phenyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(2-isopropyl-6-methyl-phenyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(2-methyl-6-propan-2-ylphenyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(2-methyl-6-propan-2-ylphenyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(2-isopropyl-6-methyl-phenyl)-5-nitro-isoindoline-1,3-quinone Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O4/c1-10(2)13-6-4-5-11(3)16(13)19-17(21)14-8-7-12(20(23)24)9-15(14)18(19)22/h4-10H,1-3H3