[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylpentanoic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate Traditional Name: 4-methyl-2-phthalimido-valeric acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C22H19Br2N3O7 MolecularWeight: 597.21016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1=C(C=C(C=C1Br)[N+](=O)[O-])Br)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NC1=C(C=C(C=C1Br)[N+](=O)[O-])Br)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H19Br2N3O7/c1-11(2)7-17(26-20(29)13-5-3-4-6-14(13)21(26)30)22(31)34-10-18(28)25-19-15(23)8-12(27(32)33)9-16(19)24/h3-6,8-9,11,17H,7,10H2,1-2H3,(H,25,28)