(E)-3-(benzotriazol-1-yl)-2-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enal

Systemtic Name: (E)-3-(benzotriazol-1-yl)-2-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enal Openeye Name: (E)-3-(benzotriazol-1-yl)-2-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enal CAS Name: (E)-3-(1-benzotriazolyl)-2-(4-bromophenyl)-3-(4-fluorophenyl)-2-propenal IUPAC Name: (E)-3-(benzotriazol-1-yl)-2-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enal Traditional Name: (E)-3-(benzotriazol-1-yl)-2-(4-bromophenyl)-3-(4-fluorophenyl)acrolein Formula: C21H13BrFN3O MolecularWeight: 422.249823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=C(C=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2/C(=C(/C=O)\C3=CC=C(C=C3)Br)/C4=CC=C(C=C4)F

InChI

InChI=1S/C21H13BrFN3O/c22-16-9-5-14(6-10-16)18(13-27)21(15-7-11-17(23)12-8-15)26-20-4-2-1-3-19(20)24-25-26/h1-13H/b21-18-