bromanylbenzene; (4E)-2-(4-bromophenyl)-4-[(4-pentoxyphenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: bromanylbenzene; (4E)-2-(4-bromophenyl)-4-[(4-pentoxyphenyl)methylidene]-1,3-oxazol-5-one Openeye Name: bromobenzene; (4E)-2-(4-bromophenyl)-4-[(4-pentoxyphenyl)methylene]oxazol-5-one CAS Name: bromobenzene; (4E)-2-(4-bromophenyl)-4-[(4-pentoxyphenyl)methylidene]-5-oxazolone IUPAC Name: bromobenzene; (4E)-2-(4-bromophenyl)-4-[(4-pentoxyphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-4-(4-amoxybenzylidene)-2-(4-bromophenyl)-2-oxazolin-5-one; bromobenzene Formula: C27H25Br2NO3 MolecularWeight: 571.3003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Br.C1=CC=C(C=C1)Br

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C/2\C(=O)OC(=N2)C3=CC=C(C=C3)Br.C1=CC=C(C=C1)Br

InChI

InChI=1S/C21H20BrNO3.C6H5Br/c1-2-3-4-13-25-18-11-5-15(6-12-18)14-19-21(24)26-20(23-19)16-7-9-17(22)10-8-16;7-6-4-2-1-3-5-6/h5-12,14H,2-4,13H2,1H3;1-5H/b19-14+;