N-(5-chloranyl-2-oxidanyl-phenyl)-1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-oxidanyl-phenyl)-1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-hydroxy-phenyl)-1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: N-(5-chloro-2-hydroxyphenyl)-1-[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-hydroxyphenyl)-1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: N-(5-chloro-2-hydroxy-phenyl)-1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]isonipecotamide Formula: C19H21ClN6O4 MolecularWeight: 432.86084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)O

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C19H21ClN6O4/c20-12-1-4-16(27)14(9-12)23-18(28)11-5-7-25(8-6-11)19-21-10-15(26(29)30)17(24-19)22-13-2-3-13/h1,4,9-11,13,27H,2-3,5-8H2,(H,23,28)(H,21,22,24)