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

Systemtic Name: methyl 3-nitro-4-[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl]oxy-benzoate Openeye Name: methyl 4-[(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]-3-nitro-benzoate CAS Name: 3-nitro-4-[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[C@H](C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H21NO6/c1-11-8-13(3)16(9-12(11)2)19(22)14(4)27-18-7-6-15(20(23)26-5)10-17(18)21(24)25/h6-10,14H,1-5H3/t14-/m0/s1