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

Systemtic Name: N-[2-chloranyl-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[2-chloro-5-[5-(hydroxymethyl)-2-furyl]phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[2-chloro-5-[5-(hydroxymethyl)-2-furanyl]phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[2-chloro-5-(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=C(C=CC(=C3)C4=CC=C(O4)CO)Cl

Isomeric SMILES

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

InChI

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