4-nitrooxybutyl 4-(2,4-dinitrophenyl)-3-nitro-benzoate

Systemtic Name: 4-nitrooxybutyl 4-(2,4-dinitrophenyl)-3-nitro-benzoate Openeye Name: 4-nitrooxybutyl 4-(2,4-dinitrophenyl)-3-nitro-benzoate CAS Name: 4-(2,4-dinitrophenyl)-3-nitrobenzoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 4-(2,4-dinitrophenyl)-3-nitrobenzoate Traditional Name: 4-(2,4-dinitrophenyl)-3-nitro-benzoic acid 4-nitrooxybutyl ester Formula: C17H14N4O11 MolecularWeight: 450.31326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCCCCO[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCCCCO[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O11/c22-17(31-7-1-2-8-32-21(29)30)11-3-5-13(15(9-11)19(25)26)14-6-4-12(18(23)24)10-16(14)20(27)28/h3-6,9-10H,1-2,7-8H2