4-[bis(fluoranyl)methoxy]-5-methoxy-N-[4-(3-methylbutanoylamino)phenyl]-2-nitro-benzamide

Systemtic Name: 4-[bis(fluoranyl)methoxy]-5-methoxy-N-[4-(3-methylbutanoylamino)phenyl]-2-nitro-benzamide Openeye Name: 4-(difluoromethoxy)-5-methoxy-N-[4-(3-methylbutanoylamino)phenyl]-2-nitro-benzamide CAS Name: 4-(difluoromethoxy)-5-methoxy-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-nitrobenzamide IUPAC Name: 4-(difluoromethoxy)-5-methoxy-N-[4-(3-methylbutanoylamino)phenyl]-2-nitrobenzamide Traditional Name: 4-(difluoromethoxy)-N-[4-(isovalerylamino)phenyl]-5-methoxy-2-nitro-benzamide Formula: C20H21F2N3O6 MolecularWeight: 437.394046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC(F)F)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC(F)F)OC

InChI

InChI=1S/C20H21F2N3O6/c1-11(2)8-18(26)23-12-4-6-13(7-5-12)24-19(27)14-9-16(30-3)17(31-20(21)22)10-15(14)25(28)29/h4-7,9-11,20H,8H2,1-3H3,(H,23,26)(H,24,27)