[(2S)-1-butoxy-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [(2S)-1-butoxy-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [(1S)-2-butoxy-1-methyl-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [(2S)-1-butoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-butoxy-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(1S)-2-butoxy-2-keto-1-methyl-ethyl] ester Formula: C15H19NO6 MolecularWeight: 309.31446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=O)[C@H](C)OC(=O)C1=CC(=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C15H19NO6/c1-4-5-8-21-14(17)11(3)22-15(18)12-7-6-10(2)13(9-12)16(19)20/h6-7,9,11H,4-5,8H2,1-3H3/t11-/m0/s1