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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-methyl-3,5-dinitro-benzoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C19H14BrN3O8 MolecularWeight: 492.23376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN3O8/c1-10-15(22(27)28)7-11(8-16(10)23(29)30)19(26)31-6-2-5-21-17(24)13-4-3-12(20)9-14(13)18(21)25/h3-4,7-9H,2,5-6H2,1H3