methyl 3-nitro-4-[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]oxy-benzoate

Systemtic Name: methyl 3-nitro-4-[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]oxy-benzoate Openeye Name: methyl 4-[(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethoxy]-3-nitro-benzoate CAS Name: 3-nitro-4-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-keto-2-mesidino-1-methyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-11-8-12(2)18(13(3)9-11)21-19(23)14(4)28-17-7-6-15(20(24)27-5)10-16(17)22(25)26/h6-10,14H,1-5H3,(H,21,23)/t14-/m0/s1