(E)-3-[3-bromanyl-4-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[3-bromanyl-4-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[3-bromo-4-(2-chlorobenzyl)oxy-phenyl]-2-cyano-acrylic acid Formula: C17H11BrClNO3 MolecularWeight: 392.63114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)C=C(C#N)C(=O)O)Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)O)Br)Cl

InChI

InChI=1S/C17H11BrClNO3/c18-14-8-11(7-13(9-20)17(21)22)5-6-16(14)23-10-12-3-1-2-4-15(12)19/h1-8H,10H2,(H,21,22)/b13-7+