2-(5-oxidanylidene-3,4-dihydro-2H-azepin-1-yl)ethanoic acid

Systemtic Name: 2-(5-oxidanylidene-3,4-dihydro-2H-azepin-1-yl)ethanoic acid Openeye Name: 2-(5-oxo-3,4-dihydro-2H-azepin-1-yl)acetic acid CAS Name: 2-(5-oxo-3,4-dihydro-2H-azepin-1-yl)acetic acid IUPAC Name: 2-(5-oxo-3,4-dihydro-2H-azepin-1-yl)acetic acid Traditional Name: 2-(5-keto-3,4-dihydro-2H-azepin-1-yl)acetic acid Formula: C8H11NO3 MolecularWeight: 169.17784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C=CN(C1)CC(=O)O

Isomeric SMILES

C1CC(=O)C=CN(C1)CC(=O)O

InChI

InChI=1S/C8H11NO3/c10-7-2-1-4-9(5-3-7)6-8(11)12/h3,5H,1-2,4,6H2,(H,11,12)