tert-butyl 2-cyano-5-(2-oxidanylidenespiro[1H-3,1-benzoxazine-4,1'-cyclobutane]-6-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-5-(2-oxidanylidenespiro[1H-3,1-benzoxazine-4,1'-cyclobutane]-6-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-cyano-5-(2-oxospiro[1H-3,1-benzoxazine-4,1'-cyclobutane]-6-yl)pyrrole-1-carboxylate CAS Name: 2-cyano-5-(2-oxo-6-spiro[1H-3,1-benzoxazine-4,1'-cyclobutane]yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-(2-oxospiro[1H-3,1-benzoxazine-4,1'-cyclobutane]-6-yl)pyrrole-1-carboxylate Traditional Name: 2-cyano-5-(2-ketospiro[1H-3,1-benzoxazine-4,1'-cyclobutane]-6-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC=C1C2=CC3=C(C=C2)NC(=O)OC34CCC4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC=C1C2=CC3=C(C=C2)NC(=O)OC34CCC4)C#N

InChI

InChI=1S/C21H21N3O4/c1-20(2,3)28-19(26)24-14(12-22)6-8-17(24)13-5-7-16-15(11-13)21(9-4-10-21)27-18(25)23-16/h5-8,11H,4,9-10H2,1-3H3,(H,23,25)