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

Systemtic Name: 6-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1H-benzimidazole-2-carboxylic acid Openeye Name: 6-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-benzimidazole-2-carboxylic acid CAS Name: 6-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]-1H-benzimidazole-2-carboxylic acid IUPAC Name: 6-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-benzimidazole-2-carboxylic acid Traditional Name: 6-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-benzimidazole-2-carboxylic acid Formula: C19H18Cl2N4O3 MolecularWeight: 421.27722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(N3)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(N3)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C19H18Cl2N4O3/c20-7-9-25(10-8-21)14-4-1-12(2-5-14)18(26)22-13-3-6-15-16(11-13)24-17(23-15)19(27)28/h1-6,11H,7-10H2,(H,22,26)(H,23,24)(H,27,28)