(E)-3-[4-azanyl-2-(2-chloranylpropyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-azanyl-2-(2-chloranylpropyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-amino-2-(2-chloropropyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-amino-2-(2-chloropropyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-amino-2-(2-chloropropyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-amino-2-(2-chloropropyl)phenyl]acrylic acid Formula: C12H14ClNO2 MolecularWeight: 239.69806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=CC(=C1)N)C=CC(=O)O)Cl

Isomeric SMILES

CC(CC1=C(C=CC(=C1)N)/C=C/C(=O)O)Cl

InChI

InChI=1S/C12H14ClNO2/c1-8(13)6-10-7-11(14)4-2-9(10)3-5-12(15)16/h2-5,7-8H,6,14H2,1H3,(H,15,16)/b5-3+