[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7/c1-12(14-7-4-3-5-8-14)22-19(26)13(2)31-17(25)11-23-20(27)15-9-6-10-16(24(29)30)18(15)21(23)28/h3-10,12-13H,11H2,1-2H3,(H,22,26)