3-oxidanylidenebutan-2-yl 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C14H17NO7 MolecularWeight: 311.28728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)C)OC

InChI

InChI=1S/C14H17NO7/c1-5-21-13-7-11(15(18)19)10(6-12(13)20-4)14(17)22-9(3)8(2)16/h6-7,9H,5H2,1-4H3