4-[(2R)-3,3-dimethyl-1-nitro-4-oxidanylidene-butan-2-yl]benzenecarbonitrile

Systemtic Name: 4-[(2R)-3,3-dimethyl-1-nitro-4-oxidanylidene-butan-2-yl]benzenecarbonitrile Openeye Name: 4-[(1R)-2,2-dimethyl-1-(nitromethyl)-3-oxo-propyl]benzonitrile CAS Name: 4-[(2R)-3,3-dimethyl-1-nitro-4-oxobutan-2-yl]benzonitrile IUPAC Name: 4-[(2R)-3,3-dimethyl-1-nitro-4-oxobutan-2-yl]benzonitrile Traditional Name: 4-[(1R)-3-keto-2,2-dimethyl-1-(nitromethyl)propyl]benzonitrile Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-13(2,9-16)12(8-15(17)18)11-5-3-10(7-14)4-6-11/h3-6,9,12H,8H2,1-2H3/t12-/m1/s1