2-(2,6-diethylphenyl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(2,6-diethylphenyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(2,6-diethylphenyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(2,6-diethylphenyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(2,6-diethylphenyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(2,6-diethylphenyl)-4-nitro-isoindoline-1,3-quinone Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O4/c1-3-11-7-5-8-12(4-2)16(11)19-17(21)13-9-6-10-14(20(23)24)15(13)18(19)22/h5-10H,3-4H2,1-2H3