ethyl 6-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1H-benzimidazole-2-carboxylate

Systemtic Name: ethyl 6-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1H-benzimidazole-2-carboxylate Openeye Name: ethyl 6-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-benzimidazole-2-carboxylate CAS Name: 6-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]-1H-benzimidazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-benzimidazole-2-carboxylate Traditional Name: 6-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-benzimidazole-2-carboxylic acid ethyl ester Formula: C21H22Cl2N4O3 MolecularWeight: 449.33038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(N1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)N(CCCl)CCCl

Isomeric SMILES

CCOC(=O)C1=NC2=C(N1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)N(CCCl)CCCl

InChI

InChI=1S/C21H22Cl2N4O3/c1-2-30-21(29)19-25-17-8-5-15(13-18(17)26-19)24-20(28)14-3-6-16(7-4-14)27(11-9-22)12-10-23/h3-8,13H,2,9-12H2,1H3,(H,24,28)(H,25,26)