4-[5-(2-chloranyl-4-methyl-phenoxy)-2-nitro-phenoxy]-3-oxidanylidene-2-(phenylcarbonyl)pentanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])OC(C)C(=O)C(C#N)C(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])OC(C)C(=O)C(C#N)C(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C25H19ClN2O6/c1-15-8-11-22(20(26)12-15)34-18-9-10-21(28(31)32)23(13-18)33-16(2)24(29)19(14-27)25(30)17-6-4-3-5-7-17/h3-13,16,19H,1-2H3