methyl 4-[bis(2-chloroethyl)aminomethyl]benzoate

Systemtic Name: methyl 4-[bis(2-chloroethyl)aminomethyl]benzoate Openeye Name: methyl 4-[bis(2-chloroethyl)aminomethyl]benzoate CAS Name: 4-[bis(2-chloroethyl)aminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(2-chloroethyl)aminomethyl]benzoate Traditional Name: 4-[bis(2-chloroethyl)aminomethyl]benzoic acid methyl ester Formula: C13H17Cl2NO2 MolecularWeight: 290.18558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(CCCl)CCCl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(CCCl)CCCl

InChI

InChI=1S/C13H17Cl2NO2/c1-18-13(17)12-4-2-11(3-5-12)10-16(8-6-14)9-7-15/h2-5H,6-10H2,1H3