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

Systemtic Name: 3-[bis(2-chloroethyl)amino]-4-ethyl-benzoic acid Openeye Name: 3-[bis(2-chloroethyl)amino]-4-ethyl-benzoic acid CAS Name: 3-[bis(2-chloroethyl)amino]-4-ethylbenzoic acid IUPAC Name: 3-[bis(2-chloroethyl)amino]-4-ethylbenzoic acid Traditional Name: 3-[bis(2-chloroethyl)amino]-4-ethyl-benzoic acid Formula: C13H17Cl2NO2 MolecularWeight: 290.18558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)N(CCCl)CCCl

InChI

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