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

Systemtic Name: 2-(4-ethanoylphenyl)-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(4-acetylphenyl)-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(4-acetylphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(4-acetylphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(4-acetylphenyl)-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C20H12N2O5 MolecularWeight: 360.31968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12N2O5/c1-11(23)12-5-7-13(8-6-12)21-19(24)15-4-2-3-14-17(22(26)27)10-9-16(18(14)15)20(21)25/h2-10H,1H3