4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(2-bromanyl-4-nitro-phenyl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(2-bromanyl-4-nitro-phenyl)butanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide CAS Name: N-(2-bromo-4-nitrophenyl)-4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-4-(1,3-diketobenzo[de]isoquinolin-2-yl)butyramide Formula: C22H16BrN3O5 MolecularWeight: 482.28354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C22H16BrN3O5/c23-17-12-14(26(30)31)9-10-18(17)24-19(27)8-3-11-25-21(28)15-6-1-4-13-5-2-7-16(20(13)15)22(25)29/h1-2,4-7,9-10,12H,3,8,11H2,(H,24,27)