2-(3,4-dimethylphenyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(3,4-dimethylphenyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(3,4-dimethylphenyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(3,4-dimethylphenyl)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(3,4-dimethylphenyl)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(3,4-dimethylphenyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C20H13N3O6 MolecularWeight: 391.33372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C20H13N3O6/c1-10-3-4-13(5-11(10)2)21-19(24)16-8-14(22(26)27)6-12-7-15(23(28)29)9-17(18(12)16)20(21)25/h3-9H,1-2H3