2-(2,5-dimethylphenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(2,5-dimethylphenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2,5-dimethylphenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2,5-dimethylphenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2,5-dimethylphenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(2,5-dimethylphenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C20H13N3O6 MolecularWeight: 391.33372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O

InChI

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