N-[2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-(5-methyl-2-furyl)-2-morpholino-ethyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-(5-methyl-2-furanyl)-2-(4-morpholinyl)ethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[2-(5-methyl-2-furyl)-2-morpholino-ethyl]-4-morpholino-3-nitro-benzamide Formula: C22H28N4O6 MolecularWeight: 444.48092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)C(CNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H28N4O6/c1-16-2-5-21(32-16)20(25-8-12-31-13-9-25)15-23-22(27)17-3-4-18(19(14-17)26(28)29)24-6-10-30-11-7-24/h2-5,14,20H,6-13,15H2,1H3,(H,23,27)