N-(4-bromophenyl)-4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzamide

Systemtic Name: N-(4-bromophenyl)-4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzamide Openeye Name: N-(4-bromophenyl)-4-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzamide CAS Name: N-(4-bromophenyl)-4-(5-nitro-1,3-dioxo-2-isoindolyl)benzamide IUPAC Name: N-(4-bromophenyl)-4-(5-nitro-1,3-dioxoisoindol-2-yl)benzamide Traditional Name: N-(4-bromophenyl)-4-(1,3-diketo-5-nitro-isoindolin-2-yl)benzamide Formula: C21H12BrN3O5 MolecularWeight: 466.24108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)Br)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)Br)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H12BrN3O5/c22-13-3-5-14(6-4-13)23-19(26)12-1-7-15(8-2-12)24-20(27)17-10-9-16(25(29)30)11-18(17)21(24)28/h1-11H,(H,23,26)