2-(4-ethylphenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(4-ethylphenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(4-ethylphenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(4-ethylphenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(4-ethylphenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(4-ethylphenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C20H13N3O6 MolecularWeight: 391.33372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O

InChI

InChI=1S/C20H13N3O6/c1-2-11-3-5-12(6-4-11)21-19(24)13-7-9-15(22(26)27)18-16(23(28)29)10-8-14(17(13)18)20(21)25/h3-10H,2H2,1H3