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

Systemtic Name: 2-(4-ethoxyphenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(4-ethoxyphenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(4-ethoxyphenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(4-ethoxyphenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 6,7-dinitro-2-p-phenetyl-benzo[de]isoquinoline-1,3-quinone Formula: C20H13N3O7 MolecularWeight: 407.33312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O

Isomeric SMILES

CCOC1=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/C20H13N3O7/c1-2-30-12-5-3-11(4-6-12)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