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

Systemtic Name: 3-[bis(2-chloroethyl)amino]-4-chloranyl-benzoic acid Openeye Name: 3-[bis(2-chloroethyl)amino]-4-chloro-benzoic acid CAS Name: 3-[bis(2-chloroethyl)amino]-4-chlorobenzoic acid IUPAC Name: 3-[bis(2-chloroethyl)amino]-4-chlorobenzoic acid Traditional Name: 3-[bis(2-chloroethyl)amino]-4-chloro-benzoic acid Formula: C11H12Cl3NO2 MolecularWeight: 296.57748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)N(CCCl)CCCl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)N(CCCl)CCCl)Cl

InChI

InChI=1S/C11H12Cl3NO2/c12-3-5-15(6-4-13)10-7-8(11(16)17)1-2-9(10)14/h1-2,7H,3-6H2,(H,16,17)