2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-N-(5-nitro-2-oxidanyl-phenyl)butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-N-(5-nitro-2-oxidanyl-phenyl)butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(2-hydroxy-5-nitro-phenyl)-4-methylsulfanyl-butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(2-hydroxy-5-nitrophenyl)-4-(methylthio)butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-5-nitrophenyl)-4-methylsulfanylbutanamide Traditional Name: N-(2-hydroxy-5-nitro-phenyl)-4-(methylthio)-2-phthalimido-butyramide Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSCCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H17N3O6S/c1-29-9-8-15(21-18(25)12-4-2-3-5-13(12)19(21)26)17(24)20-14-10-11(22(27)28)6-7-16(14)23/h2-7,10,15,23H,8-9H2,1H3,(H,20,24)