(2E)-2-[(2-cyanophenyl)methylidene]-3-oxidanylidene-butanedioic acid

Systemtic Name: (2E)-2-[(2-cyanophenyl)methylidene]-3-oxidanylidene-butanedioic acid Openeye Name: (2E)-2-[(2-cyanophenyl)methylene]-3-oxo-butanedioic acid CAS Name: (2E)-2-[(2-cyanophenyl)methylidene]-3-oxobutanedioic acid IUPAC Name: (2E)-2-[(2-cyanophenyl)methylidene]-3-oxobutanedioic acid Traditional Name: (2E)-2-(2-cyanobenzylidene)-3-keto-succinic acid Formula: C12H7NO5 MolecularWeight: 245.18768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C(=O)C(=O)O)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C(=O)C(=O)O)/C(=O)O)C#N

InChI

InChI=1S/C12H7NO5/c13-6-8-4-2-1-3-7(8)5-9(11(15)16)10(14)12(17)18/h1-5H,(H,15,16)(H,17,18)/b9-5+