1,1-dimethoxybutan-2-yl 3,5-dinitrobenzoate

Systemtic Name: 1,1-dimethoxybutan-2-yl 3,5-dinitrobenzoate Openeye Name: 1-(dimethoxymethyl)propyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 1,1-dimethoxybutan-2-yl ester IUPAC Name: 1,1-dimethoxybutan-2-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1-(dimethoxymethyl)propyl ester Formula: C13H16N2O8 MolecularWeight: 328.27474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O8/c1-4-11(13(21-2)22-3)23-12(16)8-5-9(14(17)18)7-10(6-8)15(19)20/h5-7,11,13H,4H2,1-3H3