3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 2-(2-methyl-4-nitro-phenoxy)ethanoate

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 2-(2-methyl-4-nitro-phenoxy)ethanoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 2-(2-methyl-4-nitro-phenoxy)acetate CAS Name: 2-(2-methyl-4-nitrophenoxy)acetic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 2-(2-methyl-4-nitrophenoxy)acetate Traditional Name: 2-(2-methyl-4-nitro-phenoxy)acetic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C20H17BrN2O7 MolecularWeight: 477.26218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H17BrN2O7/c1-12-9-14(23(27)28)4-6-17(12)30-11-18(24)29-8-2-7-22-19(25)15-5-3-13(21)10-16(15)20(22)26/h3-6,9-10H,2,7-8,11H2,1H3