[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-5-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=CC(=CC=C1C(=O)COC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])Br

InChI

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