ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]benzofuran-2-carboxylate CAS Name: 5-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-benzofuran-2-carboxylate Traditional Name: 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]coumarilic acid ethyl ester Formula: C22H22Cl2N2O4 MolecularWeight: 449.32708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)N(CCCl)CCCl

Isomeric SMILES

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)N(CCCl)CCCl

InChI

InChI=1S/C22H22Cl2N2O4/c1-2-29-22(28)20-14-16-13-17(5-8-19(16)30-20)25-21(27)15-3-6-18(7-4-15)26(11-9-23)12-10-24/h3-8,13-14H,2,9-12H2,1H3,(H,25,27)