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

Systemtic Name: 2-(4-butylphenyl)-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(4-butylphenyl)-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(4-butylphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(4-butylphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(4-butylphenyl)-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

InChI

InChI=1S/C22H18N2O4/c1-2-3-5-14-8-10-15(11-9-14)23-21(25)17-7-4-6-16-19(24(27)28)13-12-18(20(16)17)22(23)26/h4,6-13H,2-3,5H2,1H3