6-[(4-bromophenyl)amino]-5-nitro-2-(3-oxidanylpropyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-[(4-bromophenyl)amino]-5-nitro-2-(3-oxidanylpropyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(4-bromoanilino)-2-(3-hydroxypropyl)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 6-(4-bromoanilino)-2-(3-hydroxypropyl)-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(4-bromoanilino)-2-(3-hydroxypropyl)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 6-(4-bromoanilino)-2-(3-hydroxypropyl)-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C21H16BrN3O5 MolecularWeight: 470.27284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2NC4=CC=C(C=C4)Br)[N+](=O)[O-])CCCO

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2NC4=CC=C(C=C4)Br)[N+](=O)[O-])CCCO

InChI

InChI=1S/C21H16BrN3O5/c22-12-5-7-13(8-6-12)23-19-14-3-1-4-15-18(14)16(11-17(19)25(29)30)21(28)24(20(15)27)9-2-10-26/h1,3-8,11,23,26H,2,9-10H2