4-nitro-2-(2-propan-2-ylphenyl)-3H-isoindol-1-one

Systemtic Name: 4-nitro-2-(2-propan-2-ylphenyl)-3H-isoindol-1-one Openeye Name: 2-(2-isopropylphenyl)-4-nitro-isoindolin-1-one CAS Name: 4-nitro-2-(2-propan-2-ylphenyl)-3H-isoindol-1-one IUPAC Name: 4-nitro-2-(2-propan-2-ylphenyl)-3H-isoindol-1-one Traditional Name: 4-nitro-2-o-cumenyl-isoindolin-1-one Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2CC3=C(C2=O)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1N2CC3=C(C2=O)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O3/c1-11(2)12-6-3-4-8-15(12)18-10-14-13(17(18)20)7-5-9-16(14)19(21)22/h3-9,11H,10H2,1-2H3