2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[(4-nitrophenyl)methylamino]ethanoic acid

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[(4-nitrophenyl)methylamino]ethanoic acid Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[(4-nitrophenyl)methylamino]acetic acid CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4-nitrophenyl)methylamino]acetic acid IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4-nitrophenyl)methylamino]acetic acid Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[(4-nitrobenzyl)amino]acetic acid Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C(=O)O)NCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C(=O)O)NCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H30N2O5/c1-22(2,3)17-11-15(12-18(20(17)26)23(4,5)6)19(21(27)28)24-13-14-7-9-16(10-8-14)25(29)30/h7-12,19,24,26H,13H2,1-6H3,(H,27,28)