methyl 4-[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

Systemtic Name: methyl 4-[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate Openeye Name: methyl 4-[(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO6/c1-11-5-6-12(2)15(9-11)18(21)13(3)26-17-8-7-14(19(22)25-4)10-16(17)20(23)24/h5-10,13H,1-4H3/t13-/m0/s1