5-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]benzofuran-2-carboxylic acid CAS Name: 5-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]-2-benzofurancarboxylic acid IUPAC Name: 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]coumarilic acid Formula: C20H18Cl2N2O4 MolecularWeight: 421.27392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)OC(=C3)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)OC(=C3)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C20H18Cl2N2O4/c21-7-9-24(10-8-22)16-4-1-13(2-5-16)19(25)23-15-3-6-17-14(11-15)12-18(28-17)20(26)27/h1-6,11-12H,7-10H2,(H,23,25)(H,26,27)