N-[[(4,6-dimethylpyrimidin-2-yl)amino]-[(4-methylphenyl)amino]methylidene]-4-nitro-benzamide

Systemtic Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-[(4-methylphenyl)amino]methylidene]-4-nitro-benzamide Openeye Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-methylanilino)methylene]-4-nitro-benzamide CAS Name: N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-(4-methylanilino)methylidene]-4-nitrobenzamide IUPAC Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-methylanilino)methylidene]-4-nitrobenzamide Traditional Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(p-toluidino)methylene]-4-nitro-benzamide Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H20N6O3/c1-13-4-8-17(9-5-13)24-21(26-20-22-14(2)12-15(3)23-20)25-19(28)16-6-10-18(11-7-16)27(29)30/h4-12H,1-3H3,(H2,22,23,24,25,26,28)