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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-methoxy-5-nitro-phenyl)-4-methylsulfanyl-butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(2-methoxy-5-nitro-phenyl)-4-methylsulfanyl-butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(2-methoxy-5-nitrophenyl)-4-(methylthio)butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-nitrophenyl)-4-methylsulfanylbutanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-4-(methylthio)-2-phthalimido-butyramide Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19N3O6S/c1-29-17-8-7-12(23(27)28)11-15(17)21-18(24)16(9-10-30-2)22-19(25)13-5-3-4-6-14(13)20(22)26/h3-8,11,16H,9-10H2,1-2H3,(H,21,24)