2-(4-methylphenyl)carbonyl-4,6-dinitro-isoindole-1,3-dione

Systemtic Name: 2-(4-methylphenyl)carbonyl-4,6-dinitro-isoindole-1,3-dione Openeye Name: 2-(4-methylbenzoyl)-4,6-dinitro-isoindoline-1,3-dione CAS Name: 2-[(4-methylphenyl)-oxomethyl]-4,6-dinitroisoindole-1,3-dione IUPAC Name: 2-(4-methylbenzoyl)-4,6-dinitroisoindole-1,3-dione Traditional Name: 4,6-dinitro-2-p-toluoyl-isoindoline-1,3-quinone Formula: C16H9N3O7 MolecularWeight: 355.25856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(=O)C3=CC(=CC(=C3C2=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(=O)C3=CC(=CC(=C3C2=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H9N3O7/c1-8-2-4-9(5-3-8)14(20)17-15(21)11-6-10(18(23)24)7-12(19(25)26)13(11)16(17)22/h2-7H,1H3