propan-2-yl 3-(3,5-dinitrophenyl)-2-oxidanylidene-propanoate

Systemtic Name: propan-2-yl 3-(3,5-dinitrophenyl)-2-oxidanylidene-propanoate Openeye Name: isopropyl 3-(3,5-dinitrophenyl)-2-oxo-propanoate CAS Name: 3-(3,5-dinitrophenyl)-2-oxopropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(3,5-dinitrophenyl)-2-oxopropanoate Traditional Name: 3-(3,5-dinitrophenyl)-2-keto-propionic acid isopropyl ester Formula: C12H12N2O7 MolecularWeight: 296.23288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=O)CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C(=O)CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O7/c1-7(2)21-12(16)11(15)5-8-3-9(13(17)18)6-10(4-8)14(19)20/h3-4,6-7H,5H2,1-2H3