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

Systemtic Name: 1-[[bis(2-bromoethyl)amino]-(phenylcarbonyl)amino]indole-4-carboxylic acid Openeye Name: 1-[benzoyl-[bis(2-bromoethyl)amino]amino]indole-4-carboxylic acid CAS Name: 1-[benzoyl-[bis(2-bromoethyl)amino]amino]-4-indolecarboxylic acid IUPAC Name: 1-[benzoyl-[bis(2-bromoethyl)amino]amino]indole-4-carboxylic acid Traditional Name: 1-[benzoyl-[bis(2-bromoethyl)amino]amino]indole-4-carboxylic acid Formula: C20H19Br2N3O3 MolecularWeight: 509.19116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(N2C=CC3=C(C=CC=C32)C(=O)O)N(CCBr)CCBr

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(N2C=CC3=C(C=CC=C32)C(=O)O)N(CCBr)CCBr

InChI

InChI=1S/C20H19Br2N3O3/c21-10-13-23(14-11-22)25(19(26)15-5-2-1-3-6-15)24-12-9-16-17(20(27)28)7-4-8-18(16)24/h1-9,12H,10-11,13-14H2,(H,27,28)