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

Systemtic Name: methyl 4-[3-(2-chloranylethanoylamino)propanoylamino]benzoate Openeye Name: methyl 4-[3-[(2-chloroacetyl)amino]propanoylamino]benzoate CAS Name: 4-[[3-[(2-chloro-1-oxoethyl)amino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(2-chloroacetyl)amino]propanoylamino]benzoate Traditional Name: 4-[3-[(2-chloroacetyl)amino]propanoylamino]benzoic acid methyl ester Formula: C13H15ClN2O4 MolecularWeight: 298.7222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)CCl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)CCl

InChI

InChI=1S/C13H15ClN2O4/c1-20-13(19)9-2-4-10(5-3-9)16-11(17)6-7-15-12(18)8-14/h2-5H,6-8H2,1H3,(H,15,18)(H,16,17)