[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-tert-butylphenoxy)propanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-tert-butylphenoxy)propanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] (2S)-2-(4-tert-butylphenoxy)propanoate CAS Name: (2S)-2-(4-tert-butylphenoxy)propanoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate Traditional Name: (2S)-2-(4-tert-butylphenoxy)propionic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-14-7-6-8-18(24(27)28)20(14)23-19(25)13-29-21(26)15(2)30-17-11-9-16(10-12-17)22(3,4)5/h6-12,15H,13H2,1-5H3,(H,23,25)/t15-/m0/s1