2-[2-(2-chloranyl-4-nitro-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(2-chloranyl-4-nitro-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(2-chloro-4-nitrophenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-4-(methylthio)butyric acid Formula: C13H15ClN2O6S MolecularWeight: 362.786

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H15ClN2O6S/c1-23-5-4-10(13(18)19)15-12(17)7-22-11-3-2-8(16(20)21)6-9(11)14/h2-3,6,10H,4-5,7H2,1H3,(H,15,17)(H,18,19)