N-(2-bromoethyl)-2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pentanamide

Systemtic Name: N-(2-bromoethyl)-2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pentanamide Openeye Name: N-(2-bromoethyl)-2-[2-(2-nitroanilino)-2-oxo-ethyl]sulfanyl-pentanamide CAS Name: N-(2-bromoethyl)-2-[[2-(2-nitroanilino)-2-oxoethyl]thio]pentanamide IUPAC Name: N-(2-bromoethyl)-2-[2-(2-nitroanilino)-2-oxoethyl]sulfanylpentanamide Traditional Name: N-(2-bromoethyl)-2-[[2-keto-2-(2-nitroanilino)ethyl]thio]valeramide Formula: C15H20BrN3O4S MolecularWeight: 418.306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCBr)SCC(=O)NC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)NCCBr)SCC(=O)NC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C15H20BrN3O4S/c1-2-5-13(15(21)17-9-8-16)24-10-14(20)18-11-6-3-4-7-12(11)19(22)23/h3-4,6-7,13H,2,5,8-10H2,1H3,(H,17,21)(H,18,20)