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

Systemtic Name: 3-[bis(2-chloroethyl)amino]-4-methyl-benzoic acid Openeye Name: 3-[bis(2-chloroethyl)amino]-4-methyl-benzoic acid CAS Name: 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid Traditional Name: 3-[bis(2-chloroethyl)amino]-4-methyl-benzoic acid Formula: C12H15Cl2NO2 MolecularWeight: 276.159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15Cl2NO2/c1-9-2-3-10(12(16)17)8-11(9)15(6-4-13)7-5-14/h2-3,8H,4-7H2,1H3,(H,16,17)