(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C22H26N2O5/c1-14-9-17(22(3,4)5)10-15(2)19(14)13-29-20(25)12-23-21(26)16-7-6-8-18(11-16)24(27)28/h6-11H,12-13H2,1-5H3,(H,23,26)