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

Systemtic Name: 3-chloranyl-5-[3-(ethoxymethyl)-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-benzenecarbonitrile Openeye Name: 3-chloro-5-[3-(ethoxymethyl)-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl]benzonitrile CAS Name: 3-chloro-5-[[3-(ethoxymethyl)-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-chloro-5-[3-(ethoxymethyl)-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]benzonitrile Traditional Name: 3-chloro-5-[3-(ethoxymethyl)-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl]benzonitrile Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)Cl

Isomeric SMILES

CCOCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)Cl

InChI

InChI=1S/C18H18ClN3O4/c1-4-26-9-22-15(14(10(2)3)17(24)21-18(22)25)16(23)12-5-11(8-20)6-13(19)7-12/h5-7,10H,4,9H2,1-3H3,(H,21,24,25)