6-nitro-2-(4-propan-2-ylphenyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-nitro-2-(4-propan-2-ylphenyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(4-isopropylphenyl)-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 6-nitro-2-(4-propan-2-ylphenyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-nitro-2-(4-propan-2-ylphenyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 6-nitro-2-p-cumenyl-benzo[de]isoquinoline-1,3-quinone Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

InChI

InChI=1S/C21H16N2O4/c1-12(2)13-6-8-14(9-7-13)22-20(24)16-5-3-4-15-18(23(26)27)11-10-17(19(15)16)21(22)25/h3-12H,1-2H3