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

Systemtic Name: 2-(4-chloranylphenoxy)ethyl 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: 2-(4-chlorophenoxy)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-chlorophenoxy)ethyl ester IUPAC Name: 2-(4-chlorophenoxy)ethyl 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetic acid 2-(4-chlorophenoxy)ethyl ester Formula: C18H13ClN2O7 MolecularWeight: 404.75802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCOC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1OCCOC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN2O7/c19-11-1-4-13(5-2-11)27-7-8-28-16(22)10-20-17(23)14-6-3-12(21(25)26)9-15(14)18(20)24/h1-6,9H,7-8,10H2