2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]ethanoic acid

Systemtic Name: 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]ethanoic acid Openeye Name: 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]acetic acid CAS Name: 2-[(3-cyano-2-cyclohepta[b]pyrrolyl)amino]acetic acid IUPAC Name: 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]acetic acid Traditional Name: 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]acetic acid Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=NC(=C2C#N)NCC(=O)O)C=C1

Isomeric SMILES

C1=CC=C2C(=NC(=C2C#N)NCC(=O)O)C=C1

InChI

InChI=1S/C12H9N3O2/c13-6-9-8-4-2-1-3-5-10(8)15-12(9)14-7-11(16)17/h1-5H,7H2,(H,14,15)(H,16,17)