diethyl 2,4-dicyano-3-(5-nitro-2-oxidanyl-phenyl)pentanedioate

Systemtic Name: diethyl 2,4-dicyano-3-(5-nitro-2-oxidanyl-phenyl)pentanedioate Openeye Name: diethyl 2,4-dicyano-3-(2-hydroxy-5-nitro-phenyl)pentanedioate CAS Name: 2,4-dicyano-3-(2-hydroxy-5-nitrophenyl)pentanedioic acid diethyl ester IUPAC Name: diethyl 2,4-dicyano-3-(2-hydroxy-5-nitrophenyl)pentanedioate Traditional Name: 2,4-dicyano-3-(2-hydroxy-5-nitro-phenyl)glutaric acid diethyl ester Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O7/c1-3-26-16(22)12(8-18)15(13(9-19)17(23)27-4-2)11-7-10(20(24)25)5-6-14(11)21/h5-7,12-13,15,21H,3-4H2,1-2H3