dimethyl 5-[bis(2-chloroethyl)amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[bis(2-chloroethyl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[bis(2-chloroethyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[bis(2-chloroethyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[bis(2-chloroethyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[bis(2-chloroethyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H17Cl2NO4 MolecularWeight: 334.19508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)N(CCCl)CCCl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)N(CCCl)CCCl)C(=O)OC

InChI

InChI=1S/C14H17Cl2NO4/c1-20-13(18)10-7-11(14(19)21-2)9-12(8-10)17(5-3-15)6-4-16/h7-9H,3-6H2,1-2H3