2-(4-imidazol-1-ylbutyl)-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(4-imidazol-1-ylbutyl)-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(4-imidazol-1-ylbutyl)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-(1-imidazolyl)butyl]-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(4-imidazol-1-ylbutyl)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(4-imidazol-1-ylbutyl)-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCCCN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCCCN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O4/c24-18-15-5-3-4-13-10-14(23(26)27)11-16(17(13)15)19(25)22(18)8-2-1-7-21-9-6-20-12-21/h3-6,9-12H,1-2,7-8H2