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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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