N-(3,3-dimethyl-6-nitro-2-oxidanylidene-1-propyl-indol-5-yl)-4-(trifluoromethyl)benzamide

Systemtic Name: N-(3,3-dimethyl-6-nitro-2-oxidanylidene-1-propyl-indol-5-yl)-4-(trifluoromethyl)benzamide Openeye Name: N-(3,3-dimethyl-6-nitro-2-oxo-1-propyl-indolin-5-yl)-4-(trifluoromethyl)benzamide CAS Name: N-(3,3-dimethyl-6-nitro-2-oxo-1-propyl-5-indolyl)-4-(trifluoromethyl)benzamide IUPAC Name: N-(3,3-dimethyl-6-nitro-2-oxo-1-propylindol-5-yl)-4-(trifluoromethyl)benzamide Traditional Name: N-(2-keto-3,3-dimethyl-6-nitro-1-propyl-indolin-5-yl)-4-(trifluoromethyl)benzamide Formula: C21H20F3N3O4 MolecularWeight: 435.39641

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC(=C(C=C2C(C1=O)(C)C)NC(=O)C3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=CC(=C(C=C2C(C1=O)(C)C)NC(=O)C3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N3O4/c1-4-9-26-16-11-17(27(30)31)15(10-14(16)20(2,3)19(26)29)25-18(28)12-5-7-13(8-6-12)21(22,23)24/h5-8,10-11H,4,9H2,1-3H3,(H,25,28)