3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C13H11ClN6O2 MolecularWeight: 318.71844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCC#N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCC#N)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H11ClN6O2/c14-9-2-4-10(5-3-9)18-13-17-8-11(20(21)22)12(19-13)16-7-1-6-15/h2-5,8H,1,7H2,(H2,16,17,18,19)