2-(4-chloranyl-2-nitro-phenyl)carbonyl-4-methyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(4-chloranyl-2-nitro-phenyl)carbonyl-4-methyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-(4-chloro-2-nitro-benzoyl)-4-methyl-3-oxo-pentanenitrile CAS Name: 2-[(4-chloro-2-nitrophenyl)-oxomethyl]-4-methyl-3-oxopentanenitrile IUPAC Name: 2-(4-chloro-2-nitrobenzoyl)-4-methyl-3-oxopentanenitrile Traditional Name: 2-(4-chloro-2-nitro-benzoyl)-3-keto-4-methyl-valeronitrile Formula: C13H11ClN2O4 MolecularWeight: 294.69044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C#N)C(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)C(C#N)C(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H11ClN2O4/c1-7(2)12(17)10(6-15)13(18)9-4-3-8(14)5-11(9)16(19)20/h3-5,7,10H,1-2H3