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

Systemtic Name: N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[3-[5-(hydroxymethyl)-2-furyl]phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[3-[5-(hydroxymethyl)-2-furanyl]phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[3-(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=CC(=C3)C4=CC=C(O4)CO

Isomeric SMILES

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

InChI

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