N-[1-(2-methoxy-5-methyl-phenyl)ethyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[1-(2-methoxy-5-methyl-phenyl)ethyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[1-(2-methoxy-5-methyl-phenyl)ethyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[1-(2-methoxy-5-methyl-phenyl)ethyl]acetamide Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(C)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-11-7-8-16(29-3)14(9-11)12(2)21-17(24)10-22-19(25)13-5-4-6-15(23(27)28)18(13)20(22)26/h4-9,12H,10H2,1-3H3,(H,21,24)