N-[2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazino]-2-keto-ethyl]-3-nitro-benzamide Formula: C17H17BrN6O4 MolecularWeight: 449.25868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17BrN6O4/c18-13-9-20-17(21-10-13)23-6-4-22(5-7-23)15(25)11-19-16(26)12-2-1-3-14(8-12)24(27)28/h1-3,8-10H,4-7,11H2,(H,19,26)