(Z)-3-[5-bromanyl-2-[3-(dimethylamino)propoxy]phenyl]-2-cyano-prop-2-enoic acid

Systemtic Name: (Z)-3-[5-bromanyl-2-[3-(dimethylamino)propoxy]phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (Z)-3-[5-bromo-2-[3-(dimethylamino)propoxy]phenyl]-2-cyano-prop-2-enoic acid CAS Name: (Z)-3-[5-bromo-2-[3-(dimethylamino)propoxy]phenyl]-2-cyano-2-propenoic acid IUPAC Name: (Z)-3-[5-bromo-2-[3-(dimethylamino)propoxy]phenyl]-2-cyanoprop-2-enoic acid Traditional Name: (Z)-3-[5-bromo-2-[3-(dimethylamino)propoxy]phenyl]-2-cyano-acrylic acid Formula: C15H17BrN2O3 MolecularWeight: 353.21108

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)O

Isomeric SMILES

CN(C)CCCOC1=C(C=C(C=C1)Br)/C=C(/C#N)\C(=O)O

InChI

InChI=1S/C15H17BrN2O3/c1-18(2)6-3-7-21-14-5-4-13(16)9-11(14)8-12(10-17)15(19)20/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,20)/b12-8-