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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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