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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-12(2)14-5-8-16(9-6-14)21-19(23)13(3)28-18-10-7-15(20(24)27-4)11-17(18)22(25)26/h5-13H,1-4H3,(H,21,23)/t13-/m0/s1