2-[6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate

Systemtic Name: 2-[6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate Openeye Name: 2-[6-tert-butyl-2-[(4-chlorophenyl)methylene]-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetate IUPAC Name: 2-[6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[6-tert-butyl-2-(4-chlorobenzylidene)-3-keto-1,4-benzoxazin-4-yl]acetate Formula: C21H19ClNO4- MolecularWeight: 384.83286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=CC3=CC=C(C=C3)Cl)C(=O)N2CC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=CC3=CC=C(C=C3)Cl)C(=O)N2CC(=O)[O-]

InChI

InChI=1S/C21H20ClNO4/c1-21(2,3)14-6-9-17-16(11-14)23(12-19(24)25)20(26)18(27-17)10-13-4-7-15(22)8-5-13/h4-11H,12H2,1-3H3,(H,24,25)/p-1