ethyl 2-[4-tert-butyl-2,5-bis(oxidanylidene)-1H-1,3,4-benzotriazepin-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-tert-butyl-2,5-bis(oxidanylidene)-1H-1,3,4-benzotriazepin-3-yl]ethanoate Openeye Name: ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate CAS Name: 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetate Traditional Name: 2-(4-tert-butyl-2,5-diketo-1H-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)NC2=CC=CC=C2C(=O)N1C(C)(C)C

Isomeric SMILES

CCOC(=O)CN1C(=O)NC2=CC=CC=C2C(=O)N1C(C)(C)C

InChI

InChI=1S/C16H21N3O4/c1-5-23-13(20)10-18-15(22)17-12-9-7-6-8-11(12)14(21)19(18)16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,22)