sodium (E)-1-(4-chloranyl-3,5-dimethyl-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-en-1-olate

Systemtic Name: sodium (E)-1-(4-chloranyl-3,5-dimethyl-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-en-1-olate Openeye Name: sodium (E)-1-(4-chloro-3,5-dimethyl-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxo-pent-1-en-1-olate CAS Name: sodium (E)-1-(4-chloro-3,5-dimethyl-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxo-1-penten-1-olate IUPAC Name: sodium (E)-1-(4-chloro-3,5-dimethyl-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxopent-1-en-1-olate Traditional Name: sodium (E)-1-(4-chloro-3,5-dimethyl-2-nitro-phenyl)-2-cyano-3-keto-4,4-dimethyl-pent-1-en-1-olate Formula: C16H16ClN2NaO4 MolecularWeight: 358.75201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=C(C#N)C(=O)C(C)(C)C)[O-])[N+](=O)[O-])C)Cl.[Na+]

Isomeric SMILES

CC1=C(C(=C(C(=C1)/C(=C(/C#N)\C(=O)C(C)(C)C)/[O-])[N+](=O)[O-])C)Cl.[Na+]

InChI

InChI=1S/C16H17ClN2O4.Na/c1-8-6-10(13(19(22)23)9(2)12(8)17)14(20)11(7-18)15(21)16(3,4)5;/h6,20H,1-5H3;/q;+1/p-1/b14-11+;