4-nitro-2-(1-phenylpropan-2-yl)isoindole-1,3-dione

Systemtic Name: 4-nitro-2-(1-phenylpropan-2-yl)isoindole-1,3-dione Openeye Name: 2-(1-methyl-2-phenyl-ethyl)-4-nitro-isoindoline-1,3-dione CAS Name: 4-nitro-2-(1-phenylpropan-2-yl)isoindole-1,3-dione IUPAC Name: 4-nitro-2-(1-phenylpropan-2-yl)isoindole-1,3-dione Traditional Name: 2-(1-methyl-2-phenyl-ethyl)-4-nitro-isoindoline-1,3-quinone Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4/c1-11(10-12-6-3-2-4-7-12)18-16(20)13-8-5-9-14(19(22)23)15(13)17(18)21/h2-9,11H,10H2,1H3