methyl 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate Openeye Name: methyl 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate CAS Name: 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate Traditional Name: 3-[bis(2-chloroethyl)amino]-4-methyl-benzoic acid methyl ester Formula: C13H17Cl2NO2 MolecularWeight: 290.18558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17Cl2NO2/c1-10-3-4-11(13(17)18-2)9-12(10)16(7-5-14)8-6-15/h3-4,9H,5-8H2,1-2H3