N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(3-fluoro-4-methoxy-benzyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-methyl-butyramide Formula: C20H20FN3O6 MolecularWeight: 417.387703

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C20H20FN3O6/c1-22(12-13-5-8-17(29-2)15(21)10-13)19(25)4-3-9-23-16-7-6-14(24(27)28)11-18(16)30-20(23)26/h5-8,10-11H,3-4,9,12H2,1-2H3