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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C18H11BrN2O7 MolecularWeight: 447.19314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H11BrN2O7/c19-11-6-4-10(5-7-11)14(22)9-28-15(23)8-20-17(24)12-2-1-3-13(21(26)27)16(12)18(20)25/h1-7H,8-9H2