N-[4-chloranyl-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4-chloranyl-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-chloro-3-[5-(hydroxymethyl)-2-furyl]phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-chloro-3-[5-(hydroxymethyl)-2-furanyl]phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-chloro-3-(5-methylol-2-furyl)phenyl]-2-morpholino-5-nitro-benzamide Formula: C22H20ClN3O6 MolecularWeight: 457.8637

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)Cl)C4=CC=C(O4)CO

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)Cl)C4=CC=C(O4)CO

InChI

InChI=1S/C22H20ClN3O6/c23-19-4-1-14(11-17(19)21-6-3-16(13-27)32-21)24-22(28)18-12-15(26(29)30)2-5-20(18)25-7-9-31-10-8-25/h1-6,11-12,27H,7-10,13H2,(H,24,28)