2,6-ditert-butyl-4-[[(6-nitroquinazolin-2-yl)amino]methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[[(6-nitroquinazolin-2-yl)amino]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[(6-nitroquinazolin-2-yl)amino]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[(6-nitro-2-quinazolinyl)amino]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[(6-nitroquinazolin-2-yl)amino]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[(6-nitroquinazolin-2-yl)amino]methyl]phenol Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC2=NC=C3C=C(C=CC3=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC2=NC=C3C=C(C=CC3=N2)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O3/c1-22(2,3)17-9-14(10-18(20(17)28)23(4,5)6)12-24-21-25-13-15-11-16(27(29)30)7-8-19(15)26-21/h7-11,13,28H,12H2,1-6H3,(H,24,25,26)