2-[1-cyano-1-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-isoindol-2-yl]ethanoic acid

Systemtic Name: 2-[1-cyano-1-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-isoindol-2-yl]ethanoic acid Openeye Name: 2-[1-cyano-1-(1-cyano-2-ethoxy-2-oxo-ethyl)-3-oxo-isoindolin-2-yl]acetic acid CAS Name: 2-[1-cyano-1-(1-cyano-2-ethoxy-2-oxoethyl)-3-oxo-2-isoindolyl]acetic acid IUPAC Name: 2-[1-cyano-1-(1-cyano-2-ethoxy-2-oxoethyl)-3-oxoisoindol-2-yl]acetic acid Traditional Name: 2-[1-cyano-1-(1-cyano-2-ethoxy-2-keto-ethyl)-3-keto-isoindolin-2-yl]acetic acid Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=CC=CC=C2C(=O)N1CC(=O)O)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=CC=CC=C2C(=O)N1CC(=O)O)C#N

InChI

InChI=1S/C16H13N3O5/c1-2-24-15(23)12(7-17)16(9-18)11-6-4-3-5-10(11)14(22)19(16)8-13(20)21/h3-6,12H,2,8H2,1H3,(H,20,21)