benzimidazol-1-yl-(3,5-dinitro-4-piperidin-1-yl-phenyl)methanone

Systemtic Name: benzimidazol-1-yl-(3,5-dinitro-4-piperidin-1-yl-phenyl)methanone Openeye Name: benzimidazol-1-yl-[3,5-dinitro-4-(1-piperidyl)phenyl]methanone CAS Name: 1-benzimidazolyl-[3,5-dinitro-4-(1-piperidinyl)phenyl]methanone IUPAC Name: benzimidazol-1-yl-(3,5-dinitro-4-piperidin-1-ylphenyl)methanone Traditional Name: benzimidazol-1-yl-(3,5-dinitro-4-piperidino-phenyl)methanone Formula: C19H17N5O5 MolecularWeight: 395.36878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C=NC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C=NC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5/c25-19(22-12-20-14-6-2-3-7-15(14)22)13-10-16(23(26)27)18(17(11-13)24(28)29)21-8-4-1-5-9-21/h2-3,6-7,10-12H,1,4-5,8-9H2