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

Systemtic Name: methyl 3-[(2-chloranylethanoylamino)methyl]-4-methyl-benzoate Openeye Name: methyl 3-[[(2-chloroacetyl)amino]methyl]-4-methyl-benzoate CAS Name: 3-[[(2-chloro-1-oxoethyl)amino]methyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2-chloroacetyl)amino]methyl]-4-methylbenzoate Traditional Name: 3-[[(2-chloroacetyl)amino]methyl]-4-methyl-benzoic acid methyl ester Formula: C12H14ClNO3 MolecularWeight: 255.69746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)CNC(=O)CCl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)CNC(=O)CCl

InChI

InChI=1S/C12H14ClNO3/c1-8-3-4-9(12(16)17-2)5-10(8)7-14-11(15)6-13/h3-5H,6-7H2,1-2H3,(H,14,15)