N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide

Systemtic Name: N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide Openeye Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide CAS Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide Traditional Name: N-(3-fluoro-4-methoxy-benzyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide Formula: C21H24FN3O5 MolecularWeight: 417.430763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O)F

InChI

InChI=1S/C21H24FN3O5/c1-30-20-9-2-13(10-18(20)22)12-23-21(27)17-11-15(25(28)29)5-8-19(17)24-14-3-6-16(26)7-4-14/h2,5,8-11,14,16,24,26H,3-4,6-7,12H2,1H3,(H,23,27)