2-[1-(4-nitrophenyl)-3-oxidanylidene-butyl]propanedinitrile

Systemtic Name: 2-[1-(4-nitrophenyl)-3-oxidanylidene-butyl]propanedinitrile Openeye Name: 2-[1-(4-nitrophenyl)-3-oxo-butyl]propanedinitrile CAS Name: 2-[1-(4-nitrophenyl)-3-oxobutyl]propanedinitrile IUPAC Name: 2-[1-(4-nitrophenyl)-3-oxobutyl]propanedinitrile Traditional Name: 2-[3-keto-1-(4-nitrophenyl)butyl]malononitrile Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3/c1-9(17)6-13(11(7-14)8-15)10-2-4-12(5-3-10)16(18)19/h2-5,11,13H,6H2,1H3