2-butyl-6-nitro-5-oxidanyl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-butyl-6-nitro-5-oxidanyl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-butyl-5-hydroxy-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-butyl-5-hydroxy-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-butyl-5-hydroxy-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-butyl-5-hydroxy-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC3=C2C(=CC(=C3[N+](=O)[O-])O)C1=O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC3=C2C(=CC(=C3[N+](=O)[O-])O)C1=O

InChI

InChI=1S/C16H14N2O5/c1-2-3-7-17-15(20)10-6-4-5-9-13(10)11(16(17)21)8-12(19)14(9)18(22)23/h4-6,8,19H,2-3,7H2,1H3