(2-chloranyl-3,5-dinitro-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-3,5-dinitro-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(2-chloro-3,5-dinitro-phenyl)methanone CAS Name: (2-chloro-3,5-dinitrophenyl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(2-chloro-3,5-dinitrophenyl)methanone Traditional Name: (4-benzylpiperazino)-(2-chloro-3,5-dinitro-phenyl)methanone Formula: C18H17ClN4O5 MolecularWeight: 404.80438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O5/c19-17-15(10-14(22(25)26)11-16(17)23(27)28)18(24)21-8-6-20(7-9-21)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2