tert-butyl 2-[(3-methanoyl-5-nitro-2-oxidanyl-phenyl)methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[(3-methanoyl-5-nitro-2-oxidanyl-phenyl)methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]ethanoate Openeye Name: tert-butyl 2-[(2-tert-butoxy-2-oxo-ethyl)-[(3-formyl-2-hydroxy-5-nitro-phenyl)methyl]amino]acetate CAS Name: 2-[(3-formyl-2-hydroxy-5-nitrophenyl)methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-formyl-2-hydroxy-5-nitrophenyl)methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate Traditional Name: 2-[(2-tert-butoxy-2-keto-ethyl)-(3-formyl-2-hydroxy-5-nitro-benzyl)amino]acetic acid tert-butyl ester Formula: C20H28N2O8 MolecularWeight: 424.44492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(CC1=C(C(=CC(=C1)[N+](=O)[O-])C=O)O)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CN(CC1=C(C(=CC(=C1)[N+](=O)[O-])C=O)O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O8/c1-19(2,3)29-16(24)10-21(11-17(25)30-20(4,5)6)9-13-7-15(22(27)28)8-14(12-23)18(13)26/h7-8,12,26H,9-11H2,1-6H3