[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 3-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 3-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 3-methyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 3-methyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)butanoic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 3-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-methyl-butyric acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O8/c1-12(2)19(22(28)32-11-17(25)13-6-4-7-14(10-13)31-3)23-20(26)15-8-5-9-16(24(29)30)18(15)21(23)27/h4-10,12,19H,11H2,1-3H3