1-[[bis(2-bromoethyl)amino]-(phenylcarbonyl)amino]benzimidazole-4-carboxylic acid

Systemtic Name: 1-[[bis(2-bromoethyl)amino]-(phenylcarbonyl)amino]benzimidazole-4-carboxylic acid Openeye Name: 1-[benzoyl-[bis(2-bromoethyl)amino]amino]benzimidazole-4-carboxylic acid CAS Name: 1-[benzoyl-[bis(2-bromoethyl)amino]amino]-4-benzimidazolecarboxylic acid IUPAC Name: 1-[benzoyl-[bis(2-bromoethyl)amino]amino]benzimidazole-4-carboxylic acid Traditional Name: 1-[benzoyl-[bis(2-bromoethyl)amino]amino]benzimidazole-4-carboxylic acid Formula: C19H18Br2N4O3 MolecularWeight: 510.17922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(N2C=NC3=C(C=CC=C32)C(=O)O)N(CCBr)CCBr

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(N2C=NC3=C(C=CC=C32)C(=O)O)N(CCBr)CCBr

InChI

InChI=1S/C19H18Br2N4O3/c20-9-11-23(12-10-21)25(18(26)14-5-2-1-3-6-14)24-13-22-17-15(19(27)28)7-4-8-16(17)24/h1-8,13H,9-12H2,(H,27,28)