N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(3-keto-1,4-benzoxazin-4-yl)propionamide Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCN2C(=O)COC3=CC=CC=C32)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCN2C(=O)COC3=CC=CC=C32)Br)OC

InChI

InChI=1S/C21H23BrN2O5/c1-27-18-11-14(15(22)12-19(18)28-2)7-9-23-20(25)8-10-24-16-5-3-4-6-17(16)29-13-21(24)26/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,25)