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

Systemtic Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-[(4-methoxyphenyl)amino]methylidene]-4-nitro-benzamide Openeye Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-methoxyanilino)methylene]-4-nitro-benzamide CAS Name: N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-(4-methoxyanilino)methylidene]-4-nitrobenzamide IUPAC Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-methoxyanilino)methylidene]-4-nitrobenzamide Traditional Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(p-anisidino)methylene]-4-nitro-benzamide Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H20N6O4/c1-13-12-14(2)23-20(22-13)26-21(24-16-6-10-18(31-3)11-7-16)25-19(28)15-4-8-17(9-5-15)27(29)30/h4-12H,1-3H3,(H2,22,23,24,25,26,28)