dimethyl 5-(2-chloroethylcarbamoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-chloroethylcarbamoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(2-chloroethylcarbamoylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(2-chloroethylamino)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-chloroethylcarbamoylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(2-chloroethylcarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C13H15ClN2O5 MolecularWeight: 314.7216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NCCCl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NCCCl)C(=O)OC

InChI

InChI=1S/C13H15ClN2O5/c1-20-11(17)8-5-9(12(18)21-2)7-10(6-8)16-13(19)15-4-3-14/h5-7H,3-4H2,1-2H3,(H2,15,16,19)