N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-[(4,6-dimethyl-2-pyrimidinyl)oxy]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-morpholino-3-nitro-benzamide Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)OC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)OC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C

InChI

InChI=1S/C23H23N5O5/c1-15-12-16(2)25-23(24-15)33-19-5-3-4-18(14-19)26-22(29)17-6-7-20(21(13-17)28(30)31)27-8-10-32-11-9-27/h3-7,12-14H,8-11H2,1-2H3,(H,26,29)