propan-2-yl 3-(2-methoxy-5-nitro-phenyl)-2-oxidanylidene-propanoate

Systemtic Name: propan-2-yl 3-(2-methoxy-5-nitro-phenyl)-2-oxidanylidene-propanoate Openeye Name: isopropyl 3-(2-methoxy-5-nitro-phenyl)-2-oxo-propanoate CAS Name: 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoate Traditional Name: 2-keto-3-(2-methoxy-5-nitro-phenyl)propionic acid isopropyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-8(2)20-13(16)11(15)7-9-6-10(14(17)18)4-5-12(9)19-3/h4-6,8H,7H2,1-3H3