2-[(2S,4S)-2,4-dicyano-1,5-diethoxy-1,5-bis(oxidanylidene)pentan-3-yl]-4-nitro-phenolate

Systemtic Name: 2-[(2S,4S)-2,4-dicyano-1,5-diethoxy-1,5-bis(oxidanylidene)pentan-3-yl]-4-nitro-phenolate Openeye Name: 2-[(2S)-2-cyano-1-[(1S)-1-cyano-2-ethoxy-2-oxo-ethyl]-3-ethoxy-3-oxo-propyl]-4-nitro-phenolate CAS Name: 2-[(2S,4S)-2,4-dicyano-1,5-diethoxy-1,5-dioxopentan-3-yl]-4-nitrophenolate IUPAC Name: 2-[(2S,4S)-2,4-dicyano-1,5-diethoxy-1,5-dioxopentan-3-yl]-4-nitrophenolate Traditional Name: 2-[(2S)-2-cyano-1-[(1S)-1-cyano-2-ethoxy-2-keto-ethyl]-3-ethoxy-3-keto-propyl]-4-nitro-phenolate Formula: C17H16N3O7- MolecularWeight: 374.32484

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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@H](C#N)C(C1=C(C=CC(=C1)[N+](=O)[O-])[O-])[C@@H](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/p-1/t12-,13-/m1/s1