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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-methyl-3-nitro-benzoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C19H15BrN2O6 MolecularWeight: 447.2362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN2O6/c1-11-3-4-12(9-16(11)22(26)27)19(25)28-8-2-7-21-17(23)14-6-5-13(20)10-15(14)18(21)24/h3-6,9-10H,2,7-8H2,1H3