4-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl]-2-nitro-phenolate Formula: C14H13N2O4- MolecularWeight: 273.26402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC(=C(C=C1)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4/c1-14(2,3)13(18)10(8-15)6-9-4-5-12(17)11(7-9)16(19)20/h4-7,17H,1-3H3/p-1/b10-6+