3,5-dinitro-2-(4-oxidanylbutyl)-4-prop-2-enoyl-benzoate

Systemtic Name: 3,5-dinitro-2-(4-oxidanylbutyl)-4-prop-2-enoyl-benzoate Openeye Name: 2-(4-hydroxybutyl)-3,5-dinitro-4-prop-2-enoyl-benzoate CAS Name: 2-(4-hydroxybutyl)-3,5-dinitro-4-(1-oxoprop-2-enyl)benzoate IUPAC Name: 2-(4-hydroxybutyl)-3,5-dinitro-4-prop-2-enoylbenzoate Traditional Name: 4-acryloyl-2-(4-hydroxybutyl)-3,5-dinitro-benzoate Formula: C14H13N2O8- MolecularWeight: 337.26162

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)C1=C(C=C(C(=C1[N+](=O)[O-])CCCCO)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C=CC(=O)C1=C(C=C(C(=C1[N+](=O)[O-])CCCCO)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O8/c1-2-11(18)12-10(15(21)22)7-9(14(19)20)8(5-3-4-6-17)13(12)16(23)24/h2,7,17H,1,3-6H2,(H,19,20)/p-1