4,6-dinitro-5-(4-phenylpiperazin-1-yl)-1H-benzimidazole

Systemtic Name: 4,6-dinitro-5-(4-phenylpiperazin-1-yl)-1H-benzimidazole Openeye Name: 4,6-dinitro-5-(4-phenylpiperazin-1-yl)-1H-benzimidazole CAS Name: 4,6-dinitro-5-(4-phenyl-1-piperazinyl)-1H-benzimidazole IUPAC Name: 4,6-dinitro-5-(4-phenylpiperazin-1-yl)-1H-benzimidazole Traditional Name: 4,6-dinitro-5-(4-phenylpiperazino)-1H-benzimidazole Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C4C(=C3[N+](=O)[O-])N=CN4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C4C(=C3[N+](=O)[O-])N=CN4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O4/c24-22(25)14-10-13-15(19-11-18-13)17(23(26)27)16(14)21-8-6-20(7-9-21)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,18,19)