4-[[5-chloranyl-2-(trichloromethyl)pyrimidin-4-yl]amino]-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 4-[[5-chloranyl-2-(trichloromethyl)pyrimidin-4-yl]amino]-3,5-dinitro-benzenecarbonitrile Openeye Name: 4-[[5-chloro-2-(trichloromethyl)pyrimidin-4-yl]amino]-3,5-dinitro-benzonitrile CAS Name: 4-[[5-chloro-2-(trichloromethyl)-4-pyrimidinyl]amino]-3,5-dinitrobenzonitrile IUPAC Name: 4-[[5-chloro-2-(trichloromethyl)pyrimidin-4-yl]amino]-3,5-dinitrobenzonitrile Traditional Name: 4-[[5-chloro-2-(trichloromethyl)pyrimidin-4-yl]amino]-3,5-dinitro-benzonitrile Formula: C12H4Cl4N6O4 MolecularWeight: 438.00996

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=NC(=NC=C2Cl)C(Cl)(Cl)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=NC(=NC=C2Cl)C(Cl)(Cl)Cl)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H4Cl4N6O4/c13-6-4-18-11(12(14,15)16)20-10(6)19-9-7(21(23)24)1-5(3-17)2-8(9)22(25)26/h1-2,4H,(H,18,19,20)