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

Systemtic Name: 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]-3-hydroxy-propanoic acid CAS Name: 2-[(3-cyano-2-cyclohepta[b]pyrrolyl)amino]-3-hydroxypropanoic acid IUPAC Name: 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]-3-hydroxypropanoic acid Traditional Name: 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]-3-hydroxy-propionic acid Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3/c14-6-9-8-4-2-1-3-5-10(8)15-12(9)16-11(7-17)13(18)19/h1-5,11,17H,7H2,(H,15,16)(H,18,19)