4-chloranyl-3-[[(E)-2-methylpent-2-enoyl]amino]benzoate

Systemtic Name: 4-chloranyl-3-[[(E)-2-methylpent-2-enoyl]amino]benzoate Openeye Name: 4-chloro-3-[[(E)-2-methylpent-2-enoyl]amino]benzoate CAS Name: 4-chloro-3-[[(E)-2-methyl-1-oxopent-2-enyl]amino]benzoate IUPAC Name: 4-chloro-3-[[(E)-2-methylpent-2-enoyl]amino]benzoate Traditional Name: 4-chloro-3-[[(E)-2-methylpent-2-enoyl]amino]benzoate Formula: C13H13ClNO3- MolecularWeight: 266.70022

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C(=O)NC1=C(C=CC(=C1)C(=O)[O-])Cl

Isomeric SMILES

CC/C=C(\C)/C(=O)NC1=C(C=CC(=C1)C(=O)[O-])Cl

InChI

InChI=1S/C13H14ClNO3/c1-3-4-8(2)12(16)15-11-7-9(13(17)18)5-6-10(11)14/h4-7H,3H2,1-2H3,(H,15,16)(H,17,18)/p-1/b8-4+