[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC)[N+](=O)[O-]

InChI

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