5-(2-chloranyl-4-methyl-phenoxy)-2-(2-nitrophenoxy)-3-oxidanylidene-2-(phenylcarbonyl)pentanenitrile

Systemtic Name: 5-(2-chloranyl-4-methyl-phenoxy)-2-(2-nitrophenoxy)-3-oxidanylidene-2-(phenylcarbonyl)pentanenitrile Openeye Name: 2-benzoyl-5-(2-chloro-4-methyl-phenoxy)-2-(2-nitrophenoxy)-3-oxo-pentanenitrile CAS Name: 2-benzoyl-5-(2-chloro-4-methylphenoxy)-2-(2-nitrophenoxy)-3-oxopentanenitrile IUPAC Name: 2-benzoyl-5-(2-chloro-4-methylphenoxy)-2-(2-nitrophenoxy)-3-oxopentanenitrile Traditional Name: 2-benzoyl-5-(2-chloro-4-methyl-phenoxy)-3-keto-2-(2-nitrophenoxy)valeronitrile Formula: C25H19ClN2O6 MolecularWeight: 478.88116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC(=O)C(C#N)(C(=O)C2=CC=CC=C2)OC3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC(=O)C(C#N)(C(=O)C2=CC=CC=C2)OC3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C25H19ClN2O6/c1-17-11-12-21(19(26)15-17)33-14-13-23(29)25(16-27,24(30)18-7-3-2-4-8-18)34-22-10-6-5-9-20(22)28(31)32/h2-12,15H,13-14H2,1H3