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

Systemtic Name: propan-2-yl 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate Openeye Name: isopropyl 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate CAS Name: 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate Traditional Name: 3-[bis(2-chloroethyl)amino]-4-methyl-benzoic acid isopropyl ester Formula: C15H21Cl2NO2 MolecularWeight: 318.23874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21Cl2NO2/c1-11(2)20-15(19)13-5-4-12(3)14(10-13)18(8-6-16)9-7-17/h4-5,10-11H,6-9H2,1-3H3