methyl 3-[4-methoxy-1,4-bis(oxidanylidene)butan-2-yl]-4-nitro-benzoate

Systemtic Name: methyl 3-[4-methoxy-1,4-bis(oxidanylidene)butan-2-yl]-4-nitro-benzoate Openeye Name: methyl 3-(1-formyl-3-methoxy-3-oxo-propyl)-4-nitro-benzoate CAS Name: 3-(4-methoxy-1,4-dioxobutan-2-yl)-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(4-methoxy-1,4-dioxobutan-2-yl)-4-nitrobenzoate Traditional Name: 3-(1-formyl-3-keto-3-methoxy-propyl)-4-nitro-benzoic acid methyl ester Formula: C13H13NO7 MolecularWeight: 295.24482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO7/c1-20-12(16)6-9(7-15)10-5-8(13(17)21-2)3-4-11(10)14(18)19/h3-5,7,9H,6H2,1-2H3