tert-butyl 3-[[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-nitro-benzoate

Systemtic Name: tert-butyl 3-[[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-nitro-benzoate Openeye Name: tert-butyl 3-[[tert-butoxycarbonyl(2-methoxyethyl)amino]methyl]-4-nitro-benzoate CAS Name: 3-[[2-methoxyethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-4-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-nitrobenzoate Traditional Name: 3-[[tert-butoxycarbonyl(2-methoxyethyl)amino]methyl]-4-nitro-benzoic acid tert-butyl ester Formula: C20H30N2O7 MolecularWeight: 410.4614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CN(CCOC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CN(CCOC)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H30N2O7/c1-19(2,3)28-17(23)14-8-9-16(22(25)26)15(12-14)13-21(10-11-27-7)18(24)29-20(4,5)6/h8-9,12H,10-11,13H2,1-7H3