(E)-3-[3-(4-chloranylbutanoylamino)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-(4-chloranylbutanoylamino)phenyl]prop-2-enoate Openeye Name: (E)-3-[3-(4-chlorobutanoylamino)phenyl]prop-2-enoate CAS Name: (E)-3-[3-[(4-chloro-1-oxobutyl)amino]phenyl]-2-propenoate IUPAC Name: (E)-3-[3-(4-chlorobutanoylamino)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(4-chlorobutanoylamino)phenyl]acrylate Formula: C13H13ClNO3- MolecularWeight: 266.70022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCCl)C=CC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCCl)/C=C/C(=O)[O-]

InChI

InChI=1S/C13H14ClNO3/c14-8-2-5-12(16)15-11-4-1-3-10(9-11)6-7-13(17)18/h1,3-4,6-7,9H,2,5,8H2,(H,15,16)(H,17,18)/p-1/b7-6+