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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)CC2CON=C2C(=O)O

Isomeric SMILES

C1CCC(=O)NC(C1)CC2CON=C2C(=O)O

InChI

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