[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5/c1-3-13-8-10-14(11-9-13)17(20)12(2)24-18(21)15-6-4-5-7-16(15)19(22)23/h4-12H,3H2,1-2H3/t12-/m0/s1