4-[3-methyl-2,5-bis(oxidanylidene)-4-prop-2-enyl-pyrrol-1-yl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[3-methyl-2,5-bis(oxidanylidene)-4-prop-2-enyl-pyrrol-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(3-allyl-4-methyl-2,5-dioxo-pyrrol-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 4-(3-methyl-2,5-dioxo-4-prop-2-enyl-1-pyrrolyl)-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(3-methyl-2,5-dioxo-4-prop-2-enylpyrrol-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(3-allyl-2,5-diketo-4-methyl-3-pyrrolin-1-yl)-2-(trifluoromethyl)benzonitrile Formula: C16H11F3N2O2 MolecularWeight: 320.26595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2=CC(=C(C=C2)C#N)C(F)(F)F)CC=C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC(=C(C=C2)C#N)C(F)(F)F)CC=C

InChI

InChI=1S/C16H11F3N2O2/c1-3-4-12-9(2)14(22)21(15(12)23)11-6-5-10(8-20)13(7-11)16(17,18)19/h3,5-7H,1,4H2,2H3