methyl 2-[bis(2-chloroethyl)amino]-3,5-dimethyl-benzoate

Systemtic Name: methyl 2-[bis(2-chloroethyl)amino]-3,5-dimethyl-benzoate Openeye Name: methyl 2-[bis(2-chloroethyl)amino]-3,5-dimethyl-benzoate CAS Name: 2-[bis(2-chloroethyl)amino]-3,5-dimethylbenzoic acid methyl ester IUPAC Name: methyl 2-[bis(2-chloroethyl)amino]-3,5-dimethylbenzoate Traditional Name: 2-[bis(2-chloroethyl)amino]-3,5-dimethyl-benzoic acid methyl ester Formula: C14H19Cl2NO2 MolecularWeight: 304.21216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)OC)N(CCCl)CCCl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)OC)N(CCCl)CCCl)C

InChI

InChI=1S/C14H19Cl2NO2/c1-10-8-11(2)13(12(9-10)14(18)19-3)17(6-4-15)7-5-16/h8-9H,4-7H2,1-3H3