3-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)propanoic acid

Systemtic Name: 3-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)propanoic acid Openeye Name: 3-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)propanoic acid CAS Name: 3-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)propanoic acid IUPAC Name: 3-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)propanoic acid Traditional Name: 3-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)propionic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CCC(=O)O

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CCC(=O)O

InChI

InChI=1S/C12H13NO4/c14-11-6-8-17-10-4-2-1-3-9(10)13(11)7-5-12(15)16/h1-4H,5-8H2,(H,15,16)