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

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: 2-(3-bromophenoxy)ethyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid 2-(3-bromophenoxy)ethyl ester Formula: C18H13BrN2O7 MolecularWeight: 449.20902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O7/c19-11-3-1-4-12(9-11)27-7-8-28-15(22)10-20-17(23)13-5-2-6-14(21(25)26)16(13)18(20)24/h1-6,9H,7-8,10H2