5-[bis(2-chloroethyl)amino]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[bis(2-chloroethyl)amino]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[bis(2-chloroethyl)amino]benzofuran-2-carboxylic acid CAS Name: 5-[bis(2-chloroethyl)amino]-2-benzofurancarboxylic acid IUPAC Name: 5-[bis(2-chloroethyl)amino]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[bis(2-chloroethyl)amino]coumarilic acid Formula: C13H13Cl2NO3 MolecularWeight: 302.15322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N(CCCl)CCCl)C=C(O2)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N(CCCl)CCCl)C=C(O2)C(=O)O

InChI

InChI=1S/C13H13Cl2NO3/c14-3-5-16(6-4-15)10-1-2-11-9(7-10)8-12(19-11)13(17)18/h1-2,7-8H,3-6H2,(H,17,18)