tert-butyl 2-(8-cyano-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoate

Systemtic Name: tert-butyl 2-(8-cyano-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoate Openeye Name: tert-butyl 2-(8-cyano-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetate CAS Name: 2-(8-cyano-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(8-cyano-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetate Traditional Name: 2-(8-cyano-5-keto-2,3-dihydro-1,4-benzoxazepin-4-yl)acetic acid tert-butyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCOC2=C(C1=O)C=CC(=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCOC2=C(C1=O)C=CC(=C2)C#N

InChI

InChI=1S/C16H18N2O4/c1-16(2,3)22-14(19)10-18-6-7-21-13-8-11(9-17)4-5-12(13)15(18)20/h4-5,8H,6-7,10H2,1-3H3