1-[2-[bis(2-bromoethyl)amino]-5-formamido-phenyl]benzimidazole-2-carboxylic acid

Systemtic Name: 1-[2-[bis(2-bromoethyl)amino]-5-formamido-phenyl]benzimidazole-2-carboxylic acid Openeye Name: 1-[2-[bis(2-bromoethyl)amino]-5-formamido-phenyl]benzimidazole-2-carboxylic acid CAS Name: 1-[2-[bis(2-bromoethyl)amino]-5-formamidophenyl]-2-benzimidazolecarboxylic acid IUPAC Name: 1-[2-[bis(2-bromoethyl)amino]-5-formamidophenyl]benzimidazole-2-carboxylic acid Traditional Name: 1-[2-[bis(2-bromoethyl)amino]-5-formamido-phenyl]benzimidazole-2-carboxylic acid Formula: C19H18Br2N4O3 MolecularWeight: 510.17922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2C3=C(C=CC(=C3)NC=O)N(CCBr)CCBr)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2C3=C(C=CC(=C3)NC=O)N(CCBr)CCBr)C(=O)O

InChI

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