2-[4-[(2S)-2-cyano-3-ethoxy-3-oxidanylidene-propanoyl]phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[4-[(2S)-2-cyano-3-ethoxy-3-oxidanylidene-propanoyl]phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-[4-[(2S)-2-cyano-3-ethoxy-3-oxo-propanoyl]phenyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-[(2S)-2-cyano-3-ethoxy-1,3-dioxopropyl]phenyl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-[4-[(2S)-2-cyano-3-ethoxy-3-oxopropanoyl]phenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[4-[(2S)-2-cyano-3-ethoxy-3-keto-propanoyl]phenyl]-1,3-diketo-isoindoline-5-carboxylate Formula: C21H13N2O7- MolecularWeight: 405.33712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H](C#N)C(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H14N2O7/c1-2-30-21(29)16(10-22)17(24)11-3-6-13(7-4-11)23-18(25)14-8-5-12(20(27)28)9-15(14)19(23)26/h3-9,16H,2H2,1H3,(H,27,28)/p-1/t16-/m0/s1