5-[2-chloroethyl(ethyl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-chloroethyl(ethyl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[2-chloroethyl(ethyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[2-chloroethyl(ethyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[2-chloroethyl(ethyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[2-chloroethyl(ethyl)amino]isophthalic acid Formula: C12H14ClNO4 MolecularWeight: 271.69686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCl)C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCN(CCCl)C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14ClNO4/c1-2-14(4-3-13)10-6-8(11(15)16)5-9(7-10)12(17)18/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18)