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

Systemtic Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-[5-(hydroxymethyl)-2-furyl]-3-methyl-phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-[5-(hydroxymethyl)-2-furanyl]-3-methylphenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[3-methyl-4-(5-methylol-2-furyl)phenyl]-2-morpholino-5-nitro-benzamide Formula: C23H23N3O6 MolecularWeight: 437.44522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C4=CC=C(O4)CO

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C4=CC=C(O4)CO

InChI

InChI=1S/C23H23N3O6/c1-15-12-16(2-5-19(15)22-7-4-18(14-27)32-22)24-23(28)20-13-17(26(29)30)3-6-21(20)25-8-10-31-11-9-25/h2-7,12-13,27H,8-11,14H2,1H3,(H,24,28)