2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-2-phenyl-ethanenitrile

Systemtic Name: 2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-2-phenyl-ethanenitrile Openeye Name: 2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-2-phenyl-acetonitrile CAS Name: 2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-2-phenylacetonitrile IUPAC Name: 2-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]-2-phenylacetonitrile Traditional Name: 2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-2-phenyl-acetonitrile Formula: C18H13ClN6O2 MolecularWeight: 380.78782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H13ClN6O2/c19-13-6-8-14(9-7-13)22-18-21-11-16(25(26)27)17(24-18)23-15(10-20)12-4-2-1-3-5-12/h1-9,11,15H,(H2,21,22,23,24)