3-(4-tert-butylphenyl)-N-(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)propanamide

Systemtic Name: 3-(4-tert-butylphenyl)-N-(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)propanamide Openeye Name: 3-(4-tert-butylphenyl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide CAS Name: 3-(4-tert-butylphenyl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide IUPAC Name: 3-(4-tert-butylphenyl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide Traditional Name: 3-(4-tert-butylphenyl)-N-(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)propionamide Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NC2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NC2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C21H23ClN2O3/c1-21(2,3)14-7-4-13(5-8-14)6-9-19(25)23-16-11-18-17(10-15(16)22)24-20(26)12-27-18/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,23,25)(H,24,26)