2-oxidanylidenepropyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: 2-oxidanylidenepropyl 2-chloranyl-5-nitro-benzoate Openeye Name: acetonyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid acetonyl ester Formula: C10H8ClNO5 MolecularWeight: 257.62722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8ClNO5/c1-6(13)5-17-10(14)8-4-7(12(15)16)2-3-9(8)11/h2-4H,5H2,1H3