2-[[[bis(2-bromoethyl)amino]-(3-fluorophenyl)carbamoyl]amino]pentanedioate

Systemtic Name: 2-[[[bis(2-bromoethyl)amino]-(3-fluorophenyl)carbamoyl]amino]pentanedioate Openeye Name: 2-[[[bis(2-bromoethyl)amino]-(3-fluorophenyl)carbamoyl]amino]pentanedioate CAS Name: 2-[[(N-[bis(2-bromoethyl)amino]-3-fluoroanilino)-oxomethyl]amino]pentanedioate IUPAC Name: 2-[[[bis(2-bromoethyl)amino]-(3-fluorophenyl)carbamoyl]amino]pentanedioate Traditional Name: 2-[[[bis(2-bromoethyl)amino]-(3-fluorophenyl)carbamoyl]amino]glutarate Formula: C16H18Br2FN3O5-2 MolecularWeight: 511.137623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)N(C(=O)NC(CCC(=O)[O-])C(=O)[O-])N(CCBr)CCBr

Isomeric SMILES

C1=CC(=CC(=C1)F)N(C(=O)NC(CCC(=O)[O-])C(=O)[O-])N(CCBr)CCBr

InChI

InChI=1S/C16H20Br2FN3O5/c17-6-8-21(9-7-18)22(12-3-1-2-11(19)10-12)16(27)20-13(15(25)26)4-5-14(23)24/h1-3,10,13H,4-9H2,(H,20,27)(H,23,24)(H,25,26)/p-2