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

Systemtic Name: 2-chloranyl-5-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide Openeye Name: 2-chloro-5-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide CAS Name: 2-chloro-5-nitro-N-[2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy]ethyl]benzamide IUPAC Name: 2-chloro-5-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide Traditional Name: 2-chloro-5-nitro-N-[2-(6-pyrrolidinopyrimidin-4-yl)oxyethyl]benzamide Formula: C17H18ClN5O4 MolecularWeight: 391.80892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)OCCNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)OCCNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClN5O4/c18-14-4-3-12(23(25)26)9-13(14)17(24)19-5-8-27-16-10-15(20-11-21-16)22-6-1-2-7-22/h3-4,9-11H,1-2,5-8H2,(H,19,24)