3-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]amino]propanoic acid

Systemtic Name: 3-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]amino]propionic acid Formula: C13H14ClNO3 MolecularWeight: 267.70816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)NCCC(=O)O)Cl

InChI

InChI=1S/C13H14ClNO3/c1-9-2-3-10(8-11(9)14)4-5-12(16)15-7-6-13(17)18/h2-5,8H,6-7H2,1H3,(H,15,16)(H,17,18)/b5-4+