2-(3-cyano-2-oxidanylidene-cyclohepta[b]pyrrol-1-yl)ethanoic acid

Systemtic Name: 2-(3-cyano-2-oxidanylidene-cyclohepta[b]pyrrol-1-yl)ethanoic acid Openeye Name: 2-(3-cyano-2-oxo-cyclohepta[b]pyrrol-1-yl)acetic acid CAS Name: 2-(3-cyano-2-oxo-1-cyclohepta[b]pyrrolyl)acetic acid IUPAC Name: 2-(3-cyano-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid Traditional Name: 2-(3-cyano-2-keto-cyclohepta[b]pyrrol-1-yl)acetic acid Formula: C12H8N2O3 MolecularWeight: 228.20352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C(C(=O)N2CC(=O)O)C#N)C=C1

Isomeric SMILES

C1=CC=C2C(=C(C(=O)N2CC(=O)O)C#N)C=C1

InChI

InChI=1S/C12H8N2O3/c13-6-9-8-4-2-1-3-5-10(8)14(12(9)17)7-11(15)16/h1-5H,7H2,(H,15,16)