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

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

CC(CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

CC(CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])N4C=CN=C4

InChI

InChI=1S/C19H16N4O4/c1-12(21-8-6-20-11-21)5-7-22-18(24)15-4-2-3-13-9-14(23(26)27)10-16(17(13)15)19(22)25/h2-4,6,8-12H,5,7H2,1H3