2-chloranyl-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethyl]-5-nitro-benzamide Formula: C18H21ClN6O4 MolecularWeight: 420.85014

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN6O4/c1-23-5-7-24(8-6-23)16-11-17(22-12-21-16)29-9-4-20-18(26)14-10-13(25(27)28)2-3-15(14)19/h2-3,10-12H,4-9H2,1H3,(H,20,26)