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

Systemtic Name: [(2S)-1-butoxy-1-oxidanylidene-propan-2-yl] 4-methoxy-3-nitro-benzoate Openeye Name: [(1S)-2-butoxy-1-methyl-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [(2S)-1-butoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-butoxy-1-oxopropan-2-yl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [(1S)-2-butoxy-2-keto-1-methyl-ethyl] ester Formula: C15H19NO7 MolecularWeight: 325.31386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO7/c1-4-5-8-22-14(17)10(2)23-15(18)11-6-7-13(21-3)12(9-11)16(19)20/h6-7,9-10H,4-5,8H2,1-3H3/t10-/m0/s1