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

Systemtic Name: N-[2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-4-nitro-3-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[2-(5-methyl-2-furyl)-2-morpholino-ethyl]-4-nitro-benzamide CAS Name: 3-hydroxy-N-[2-(5-methyl-2-furanyl)-2-(4-morpholinyl)ethyl]-4-nitrobenzamide IUPAC Name: 3-hydroxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-nitrobenzamide Traditional Name: 3-hydroxy-N-[2-(5-methyl-2-furyl)-2-morpholino-ethyl]-4-nitro-benzamide Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6/c1-12-2-5-17(27-12)15(20-6-8-26-9-7-20)11-19-18(23)13-3-4-14(21(24)25)16(22)10-13/h2-5,10,15,22H,6-9,11H2,1H3,(H,19,23)