2-chloranyl-5-nitro-N-[3-(pyrimidin-2-ylamino)propyl]benzamide

Systemtic Name: 2-chloranyl-5-nitro-N-[3-(pyrimidin-2-ylamino)propyl]benzamide Openeye Name: 2-chloro-5-nitro-N-[3-(pyrimidin-2-ylamino)propyl]benzamide CAS Name: 2-chloro-5-nitro-N-[3-(2-pyrimidinylamino)propyl]benzamide IUPAC Name: 2-chloro-5-nitro-N-[3-(pyrimidin-2-ylamino)propyl]benzamide Traditional Name: 2-chloro-5-nitro-N-[3-(2-pyrimidylamino)propyl]benzamide Formula: C14H14ClN5O3 MolecularWeight: 335.74566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NCCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CN=C(N=C1)NCCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H14ClN5O3/c15-12-4-3-10(20(22)23)9-11(12)13(21)16-5-1-6-17-14-18-7-2-8-19-14/h2-4,7-9H,1,5-6H2,(H,16,21)(H,17,18,19)