(E)-3-[2-(butanoylamino)-5-chloranyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(butanoylamino)-5-chloranyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(butanoylamino)-5-chloro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-chloro-2-(1-oxobutylamino)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(butanoylamino)-5-chlorophenyl]prop-2-enoic acid Traditional Name: (E)-3-(2-butyramido-5-chloro-phenyl)acrylic acid Formula: C13H14ClNO3 MolecularWeight: 267.70816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C=C1)Cl)C=CC(=O)O

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C=C1)Cl)/C=C/C(=O)O

InChI

InChI=1S/C13H14ClNO3/c1-2-3-12(16)15-11-6-5-10(14)8-9(11)4-7-13(17)18/h4-8H,2-3H2,1H3,(H,15,16)(H,17,18)/b7-4+