[2-methoxy-5-[[(6-nitroquinazolin-2-yl)amino]methyl]phenyl] 2,2-dimethylpropanoate

Systemtic Name: [2-methoxy-5-[[(6-nitroquinazolin-2-yl)amino]methyl]phenyl] 2,2-dimethylpropanoate Openeye Name: [2-methoxy-5-[[(6-nitroquinazolin-2-yl)amino]methyl]phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-methoxy-5-[[(6-nitro-2-quinazolinyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(6-nitroquinazolin-2-yl)amino]methyl]phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-methoxy-5-[[(6-nitroquinazolin-2-yl)amino]methyl]phenyl] ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(C=CC(=C1)CNC2=NC=C3C=C(C=CC3=N2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(C=CC(=C1)CNC2=NC=C3C=C(C=CC3=N2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O5/c1-21(2,3)19(26)30-18-9-13(5-8-17(18)29-4)11-22-20-23-12-14-10-15(25(27)28)6-7-16(14)24-20/h5-10,12H,11H2,1-4H3,(H,22,23,24)