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

Systemtic Name: 4-(dimethylamino)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[3-[(4,6-dimethyl-2-pyrimidinyl)oxy]phenyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-nitro-benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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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)N(C)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-13-10-14(2)23-21(22-13)30-17-7-5-6-16(12-17)24-20(27)15-8-9-18(25(3)4)19(11-15)26(28)29/h5-12H,1-4H3,(H,24,27)