2-(8-cyano-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate

Systemtic Name: 2-(8-cyano-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate Openeye Name: 2-(8-cyano-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate CAS Name: 2-(8-cyano-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate IUPAC Name: 2-(8-cyano-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate Traditional Name: 2-(8-cyano-5-keto-2,3-dihydro-1,4-benzoxazepin-4-yl)propionate Formula: C13H11N2O4- MolecularWeight: 259.23744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1CCOC2=C(C1=O)C=CC(=C2)C#N

Isomeric SMILES

CC(C(=O)[O-])N1CCOC2=C(C1=O)C=CC(=C2)C#N

InChI

InChI=1S/C13H12N2O4/c1-8(13(17)18)15-4-5-19-11-6-9(7-14)2-3-10(11)12(15)16/h2-3,6,8H,4-5H2,1H3,(H,17,18)/p-1