ethyl 3-nitro-4-(2-oxidanylidenepropyl)benzoate

Systemtic Name: ethyl 3-nitro-4-(2-oxidanylidenepropyl)benzoate Openeye Name: ethyl 4-acetonyl-3-nitro-benzoate CAS Name: 3-nitro-4-(2-oxopropyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-4-(2-oxopropyl)benzoate Traditional Name: 4-acetonyl-3-nitro-benzoic acid ethyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-3-18-12(15)10-5-4-9(6-8(2)14)11(7-10)13(16)17/h4-5,7H,3,6H2,1-2H3