tert-butyl 2-(4,4-diethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(4,4-diethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(4,4-diethyl-2-oxo-1H-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate CAS Name: 2-(4,4-diethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4,4-diethyl-2-oxo-1H-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate Traditional Name: 2-(4,4-diethyl-2-keto-1H-3,1-benzoxazin-6-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=CC=CN3C(=O)OC(C)(C)C)NC(=O)O1)CC

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC=CN3C(=O)OC(C)(C)C)NC(=O)O1)CC

InChI

InChI=1S/C21H26N2O4/c1-6-21(7-2)15-13-14(10-11-16(15)22-18(24)26-21)17-9-8-12-23(17)19(25)27-20(3,4)5/h8-13H,6-7H2,1-5H3,(H,22,24)