4-methylsulfanyl-2-[5-(4-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[5-(4-nitrophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid Openeye Name: 4-methylsulfanyl-2-[5-(4-nitrophenoxy)-1,3-dioxo-isoindolin-2-yl]butanoic acid CAS Name: 4-(methylthio)-2-[5-(4-nitrophenoxy)-1,3-dioxo-2-isoindolyl]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]butanoic acid Traditional Name: 2-[1,3-diketo-5-(4-nitrophenoxy)isoindolin-2-yl]-4-(methylthio)butyric acid Formula: C19H16N2O7S MolecularWeight: 416.40454

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O7S/c1-29-9-8-16(19(24)25)20-17(22)14-7-6-13(10-15(14)18(20)23)28-12-4-2-11(3-5-12)21(26)27/h2-7,10,16H,8-9H2,1H3,(H,24,25)