tert-butyl (2S)-2-[[4-(2,6-ditert-butyl-4-methoxy-phenoxy)-3-nitro-4-oxidanylidene-butyl]amino]-4-methyl-pentanoate

Systemtic Name: tert-butyl (2S)-2-[[4-(2,6-ditert-butyl-4-methoxy-phenoxy)-3-nitro-4-oxidanylidene-butyl]amino]-4-methyl-pentanoate Openeye Name: tert-butyl (2S)-2-[[4-(2,6-ditert-butyl-4-methoxy-phenoxy)-3-nitro-4-oxo-butyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[4-(2,6-ditert-butyl-4-methoxyphenoxy)-3-nitro-4-oxobutyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(2,6-ditert-butyl-4-methoxyphenoxy)-3-nitro-4-oxobutyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-(2,6-ditert-butyl-4-methoxy-phenoxy)-4-keto-3-nitro-butyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C29H48N2O7 MolecularWeight: 536.70062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NCCC(C(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC(C)(C)C)NCCC(C(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C29H48N2O7/c1-18(2)15-22(25(32)38-29(9,10)11)30-14-13-23(31(34)35)26(33)37-24-20(27(3,4)5)16-19(36-12)17-21(24)28(6,7)8/h16-18,22-23,30H,13-15H2,1-12H3/t22-,23?/m0/s1