(4-ethanoylphenyl) (2S)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (4-ethanoylphenyl) (2S)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-acetylphenyl) (2S)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: (2S)-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (2S)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: (2S)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (4-acetylphenyl) ester Formula: C19H14N2O7 MolecularWeight: 382.32366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=C(C=C1)C(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OC1=CC=C(C=C1)C(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O7/c1-10(19(25)28-13-8-6-12(7-9-13)11(2)22)20-17(23)14-4-3-5-15(21(26)27)16(14)18(20)24/h3-10H,1-2H3/t10-/m0/s1