2-[2,4-bis(oxidanylidene)pentan-3-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[2,4-bis(oxidanylidene)pentan-3-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-(1-acetyl-2-oxo-propyl)-5-nitro-benzonitrile CAS Name: 2-(2,4-dioxopentan-3-yl)-5-nitrobenzonitrile IUPAC Name: 2-(2,4-dioxopentan-3-yl)-5-nitrobenzonitrile Traditional Name: 2-(1-acetyl-2-keto-propyl)-5-nitro-benzonitrile Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O4/c1-7(15)12(8(2)16)11-4-3-10(14(17)18)5-9(11)6-13/h3-5,12H,1-2H3