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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C19H13BrN2O7 MolecularWeight: 461.21972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrN2O7/c1-10(19(26)29-9-15(23)11-5-7-12(20)8-6-11)21-17(24)13-3-2-4-14(22(27)28)16(13)18(21)25/h2-8,10H,9H2,1H3