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

Systemtic Name: N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-[5-(hydroxymethyl)-2-furyl]phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-[5-(hydroxymethyl)-2-furanyl]phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(5-methylol-2-furyl)phenyl]-2-morpholino-5-nitro-benzamide Formula: C22H21N3O6 MolecularWeight: 423.41864

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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)C4=CC=C(O4)CO

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6/c26-14-18-6-8-21(31-18)15-1-3-16(4-2-15)23-22(27)19-13-17(25(28)29)5-7-20(19)24-9-11-30-12-10-24/h1-8,13,26H,9-12,14H2,(H,23,27)