N1-[4-[1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2-methyl-phenyl]-3-nitro-N2-propan-2-yl-benzene-1,2-dicarboxamide

Systemtic Name: N1-[4-[1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2-methyl-phenyl]-3-nitro-N2-propan-2-yl-benzene-1,2-dicarboxamide Openeye Name: N2-isopropyl-N1-[2-methyl-4-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenyl]-3-nitro-phthalamide CAS Name: N1-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-3-nitro-N2-propan-2-ylbenzene-1,2-dicarboxamide IUPAC Name: 1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-3-nitro-2-N-propan-2-ylbenzene-1,2-dicarboxamide Traditional Name: N'-isopropyl-N-[2-methyl-4-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenyl]-3-nitro-phthalamide Formula: C21H19F6N3O4 MolecularWeight: 491.383679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C(F)(F)F)C(F)(F)F)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)NC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(C(F)(F)F)C(F)(F)F)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)NC(C)C

InChI

InChI=1S/C21H19F6N3O4/c1-10(2)28-19(32)16-13(5-4-6-15(16)30(33)34)18(31)29-14-8-7-12(9-11(14)3)17(20(22,23)24)21(25,26)27/h4-10,17H,1-3H3,(H,28,32)(H,29,31)