(E)-2-(acetamidomethyl)-3-(4-chlorophenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(acetamidomethyl)-3-(4-chlorophenyl)prop-2-enoic acid Openeye Name: (E)-2-(acetamidomethyl)-3-(4-chlorophenyl)prop-2-enoic acid CAS Name: (E)-2-(acetamidomethyl)-3-(4-chlorophenyl)-2-propenoic acid IUPAC Name: (E)-2-(acetamidomethyl)-3-(4-chlorophenyl)prop-2-enoic acid Traditional Name: (E)-2-(acetamidomethyl)-3-(4-chlorophenyl)acrylic acid Formula: C12H12ClNO3 MolecularWeight: 253.68158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)NC/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O

InChI

InChI=1S/C12H12ClNO3/c1-8(15)14-7-10(12(16)17)6-9-2-4-11(13)5-3-9/h2-6H,7H2,1H3,(H,14,15)(H,16,17)/b10-6+