(5-ethanoyl-2-ethoxy-phenyl)methyl (2S)-4-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl (2S)-4-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl (2S)-4-methyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)pentanoate CAS Name: (2S)-4-methyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)pentanoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl (2S)-4-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)pentanoate Traditional Name: (2S)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)-4-methyl-valeric acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C25H26N2O8 MolecularWeight: 482.48254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C(CC(C)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)[C@H](CC(C)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O8/c1-5-34-21-10-9-16(15(4)28)12-17(21)13-35-25(31)20(11-14(2)3)26-23(29)18-7-6-8-19(27(32)33)22(18)24(26)30/h6-10,12,14,20H,5,11,13H2,1-4H3/t20-/m0/s1