2-[4-(phenylmethyl)piperazin-1-yl]-1-(2,4,6-trinitrophenyl)ethanone

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]-1-(2,4,6-trinitrophenyl)ethanone Openeye Name: 2-(4-benzylpiperazin-1-yl)-1-(2,4,6-trinitrophenyl)ethanone CAS Name: 2-[4-(phenylmethyl)-1-piperazinyl]-1-(2,4,6-trinitrophenyl)ethanone IUPAC Name: 2-(4-benzylpiperazin-1-yl)-1-(2,4,6-trinitrophenyl)ethanone Traditional Name: 2-(4-benzylpiperazino)-1-picryl-ethanone Formula: C19H19N5O7 MolecularWeight: 429.38346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(=O)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(=O)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O7/c25-18(13-21-8-6-20(7-9-21)12-14-4-2-1-3-5-14)19-16(23(28)29)10-15(22(26)27)11-17(19)24(30)31/h1-5,10-11H,6-9,12-13H2