[(2-methyl-5-nitro-phenyl)-(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl 2,2-dimethylpropanoate

Systemtic Name: [(2-methyl-5-nitro-phenyl)-(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl 2,2-dimethylpropanoate Openeye Name: (2-methyl-5-nitro-N-[4-(3-pyridyl)pyrimidin-2-yl]anilino)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (2-methyl-5-nitro-N-[4-(3-pyridinyl)-2-pyrimidinyl]anilino)methyl ester IUPAC Name: (2-methyl-5-nitro-N-(4-pyridin-3-ylpyrimidin-2-yl)anilino)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (2-methyl-5-nitro-N-[4-(3-pyridyl)pyrimidin-2-yl]anilino)methyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(COC(=O)C(C)(C)C)C2=NC=CC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(COC(=O)C(C)(C)C)C2=NC=CC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C22H23N5O4/c1-15-7-8-17(27(29)30)12-19(15)26(14-31-20(28)22(2,3)4)21-24-11-9-18(25-21)16-6-5-10-23-13-16/h5-13H,14H2,1-4H3