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

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 4-methyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)pentanoate CAS Name: 4-methyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)pentanoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 4-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)pentanoate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-4-methyl-valeric acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C22H20BrN3O7 MolecularWeight: 518.3141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1=CC=C(C=C1)Br)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NC1=CC=C(C=C1)Br)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20BrN3O7/c1-12(2)10-17(22(30)33-11-18(27)24-14-8-6-13(23)7-9-14)25-20(28)15-4-3-5-16(26(31)32)19(15)21(25)29/h3-9,12,17H,10-11H2,1-2H3,(H,24,27)