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

Systemtic Name: N-(5-bromanylpyrimidin-2-yl)-4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-(5-bromopyrimidin-2-yl)-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-(5-bromo-2-pyrimidinyl)-4-(4-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(5-bromopyrimidin-2-yl)-4-(4-nitro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-(5-bromopyrimidin-2-yl)-4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyramide Formula: C16H12BrN5O5 MolecularWeight: 434.20098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCC(=O)NC3=NC=C(C=N3)Br

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCC(=O)NC3=NC=C(C=N3)Br

InChI

InChI=1S/C16H12BrN5O5/c17-9-7-18-16(19-8-9)20-12(23)5-2-6-21-14(24)10-3-1-4-11(22(26)27)13(10)15(21)25/h1,3-4,7-8H,2,5-6H2,(H,18,19,20,23)