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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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