4-(4-ethylpiperazin-1-yl)-3,5-dinitro-benzamide

Systemtic Name: 4-(4-ethylpiperazin-1-yl)-3,5-dinitro-benzamide Openeye Name: 4-(4-ethylpiperazin-1-yl)-3,5-dinitro-benzamide CAS Name: 4-(4-ethyl-1-piperazinyl)-3,5-dinitrobenzamide IUPAC Name: 4-(4-ethylpiperazin-1-yl)-3,5-dinitrobenzamide Traditional Name: 4-(4-ethylpiperazino)-3,5-dinitro-benzamide Formula: C13H17N5O5 MolecularWeight: 323.30458

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O5/c1-2-15-3-5-16(6-4-15)12-10(17(20)21)7-9(13(14)19)8-11(12)18(22)23/h7-8H,2-6H2,1H3,(H2,14,19)