(E)-3-(1,3-benzoxazol-2-yl)-4-(4-bromophenyl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-bromophenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-bromophenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-bromophenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-bromophenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-bromophenyl)but-3-enoate Formula: C17H11BrNO3- MolecularWeight: 357.17814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C(=CC3=CC=C(C=C3)Br)CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)/C(=C/C3=CC=C(C=C3)Br)/CC(=O)[O-]

InChI

InChI=1S/C17H12BrNO3/c18-13-7-5-11(6-8-13)9-12(10-16(20)21)17-19-14-3-1-2-4-15(14)22-17/h1-9H,10H2,(H,20,21)/p-1/b12-9+