1-benzofuran-2-carboxylic acid; N-[4-[bis(2-chloroethyl)amino]phenyl]methanamide

Systemtic Name: 1-benzofuran-2-carboxylic acid; N-[4-[bis(2-chloroethyl)amino]phenyl]methanamide Openeye Name: benzofuran-2-carboxylic acid; N-[4-[bis(2-chloroethyl)amino]phenyl]formamide CAS Name: 2-benzofurancarboxylic acid; N-[4-[bis(2-chloroethyl)amino]phenyl]formamide IUPAC Name: 1-benzofuran-2-carboxylic acid; N-[4-[bis(2-chloroethyl)amino]phenyl]formamide Traditional Name: N-[4-[bis(2-chloroethyl)amino]phenyl]formamide; coumarilic acid Formula: C20H20Cl2N2O4 MolecularWeight: 423.2898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)O.C1=CC(=CC=C1NC=O)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)O.C1=CC(=CC=C1NC=O)N(CCCl)CCCl

InChI

InChI=1S/C11H14Cl2N2O.C9H6O3/c12-5-7-15(8-6-13)11-3-1-10(2-4-11)14-9-16;10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-4,9H,5-8H2,(H,14,16);1-5H,(H,10,11)