3-chloranyl-5-[3-ethyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-[3-ethyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-benzenecarbonitrile Openeye Name: 3-chloro-5-(3-ethyl-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl)benzonitrile CAS Name: 3-chloro-5-[(3-ethyl-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl)-oxomethyl]benzonitrile IUPAC Name: 3-chloro-5-(3-ethyl-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl)benzonitrile Traditional Name: 3-chloro-5-(3-ethyl-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl)benzonitrile Formula: C17H16ClN3O3 MolecularWeight: 345.78024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)Cl

Isomeric SMILES

CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)Cl

InChI

InChI=1S/C17H16ClN3O3/c1-4-21-14(13(9(2)3)16(23)20-17(21)24)15(22)11-5-10(8-19)6-12(18)7-11/h5-7,9H,4H2,1-3H3,(H,20,23,24)