3-oxidanylpropyl 3,5-dinitro-2-prop-2-enoyl-benzoate

Systemtic Name: 3-oxidanylpropyl 3,5-dinitro-2-prop-2-enoyl-benzoate Openeye Name: 3-hydroxypropyl 3,5-dinitro-2-prop-2-enoyl-benzoate CAS Name: 3,5-dinitro-2-(1-oxoprop-2-enyl)benzoic acid 3-hydroxypropyl ester IUPAC Name: 3-hydroxypropyl 3,5-dinitro-2-prop-2-enoylbenzoate Traditional Name: 2-acryloyl-3,5-dinitro-benzoic acid 3-hydroxypropyl ester Formula: C13H12N2O8 MolecularWeight: 324.24298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O8/c1-2-11(17)12-9(13(18)23-5-3-4-16)6-8(14(19)20)7-10(12)15(21)22/h2,6-7,16H,1,3-5H2