3-[(2-chloranylethanoylamino)methyl]-4-methyl-benzoate

Systemtic Name: 3-[(2-chloranylethanoylamino)methyl]-4-methyl-benzoate Openeye Name: 3-[[(2-chloroacetyl)amino]methyl]-4-methyl-benzoate CAS Name: 3-[[(2-chloro-1-oxoethyl)amino]methyl]-4-methylbenzoate IUPAC Name: 3-[[(2-chloroacetyl)amino]methyl]-4-methylbenzoate Traditional Name: 3-[[(2-chloroacetyl)amino]methyl]-4-methyl-benzoate Formula: C11H11ClNO3- MolecularWeight: 240.66294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])CNC(=O)CCl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])CNC(=O)CCl

InChI

InChI=1S/C11H12ClNO3/c1-7-2-3-8(11(15)16)4-9(7)6-13-10(14)5-12/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)/p-1