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

Systemtic Name: tert-butyl 2-(2-oxidanylidenespiro[1H-3,1-benzoxazine-4,1'-cyclobutane]-6-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(2-oxospiro[1H-3,1-benzoxazine-4,1'-cyclobutane]-6-yl)pyrrole-1-carboxylate CAS Name: 2-(2-oxo-6-spiro[1H-3,1-benzoxazine-4,1'-cyclobutane]yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-oxospiro[1H-3,1-benzoxazine-4,1'-cyclobutane]-6-yl)pyrrole-1-carboxylate Traditional Name: 2-(2-ketospiro[1H-3,1-benzoxazine-4,1'-cyclobutane]-6-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-19(2,3)26-18(24)22-11-4-6-16(22)13-7-8-15-14(12-13)20(9-5-10-20)25-17(23)21-15/h4,6-8,11-12H,5,9-10H2,1-3H3,(H,21,23)