5-[(7-oxidanylideneazepan-2-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[(7-oxidanylideneazepan-2-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[(7-oxoazepan-2-yl)methyl]-4,5-dihydroisoxazole-3-carboxylic acid CAS Name: 5-[(7-oxo-2-azepanyl)methyl]-4,5-dihydroisoxazole-3-carboxylic acid IUPAC Name: 5-[(7-oxoazepan-2-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[(7-ketoazepan-2-yl)methyl]-2-isoxazoline-3-carboxylic acid Formula: C11H16N2O4 MolecularWeight: 240.25574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)CC2CC(=NO2)C(=O)O

Isomeric SMILES

C1CCC(=O)NC(C1)CC2CC(=NO2)C(=O)O

InChI

InChI=1S/C11H16N2O4/c14-10-4-2-1-3-7(12-10)5-8-6-9(11(15)16)13-17-8/h7-8H,1-6H2,(H,12,14)(H,15,16)