4-[(Z)-2-cyano-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(Z)-2-cyano-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(Z)-2-cyano-1-hydroxy-4,4-dimethyl-3-oxo-pent-1-enyl]-3-nitro-benzonitrile CAS Name: 4-[(Z)-2-cyano-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]-3-nitrobenzonitrile IUPAC Name: 4-[(Z)-2-cyano-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]-3-nitrobenzonitrile Traditional Name: 4-[(Z)-2-cyano-1-hydroxy-3-keto-4,4-dimethyl-pent-1-enyl]-3-nitro-benzonitrile Formula: C15H13N3O4 MolecularWeight: 299.28142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4/c1-15(2,3)14(20)11(8-17)13(19)10-5-4-9(7-16)6-12(10)18(21)22/h4-6,19H,1-3H3/b13-11-