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

Systemtic Name: [(2S)-1-butoxy-1-oxidanylidene-propan-2-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [(1S)-2-butoxy-1-methyl-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [(2S)-1-butoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-butoxy-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [(1S)-2-butoxy-2-keto-1-methyl-ethyl] ester Formula: C14H16ClNO6 MolecularWeight: 329.73294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClNO6/c1-3-4-7-21-13(17)9(2)22-14(18)11-6-5-10(16(19)20)8-12(11)15/h5-6,8-9H,3-4,7H2,1-2H3/t9-/m0/s1