N-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]-3,5-dinitro-benzamide Openeye Name: N-[6-(4-ethylpiperazin-1-yl)-3-pyridyl]-3,5-dinitro-benzamide CAS Name: N-[6-(4-ethyl-1-piperazinyl)-3-pyridinyl]-3,5-dinitrobenzamide IUPAC Name: N-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]-3,5-dinitrobenzamide Traditional Name: N-[6-(4-ethylpiperazino)-3-pyridyl]-3,5-dinitro-benzamide Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O5/c1-2-21-5-7-22(8-6-21)17-4-3-14(12-19-17)20-18(25)13-9-15(23(26)27)11-16(10-13)24(28)29/h3-4,9-12H,2,5-8H2,1H3,(H,20,25)