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

Systemtic Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-[(4-pentoxyphenyl)amino]methylidene]-4-nitro-benzamide Openeye Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-pentoxyanilino)methylene]-4-nitro-benzamide CAS Name: N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-(4-pentoxyanilino)methylidene]-4-nitrobenzamide IUPAC Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-pentoxyanilino)methylidene]-4-nitrobenzamide Traditional Name: N-[(4-amoxyanilino)-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]-4-nitro-benzamide Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C25H28N6O4/c1-4-5-6-15-35-22-13-9-20(10-14-22)28-25(30-24-26-17(2)16-18(3)27-24)29-23(32)19-7-11-21(12-8-19)31(33)34/h7-14,16H,4-6,15H2,1-3H3,(H2,26,27,28,29,30,32)