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

Systemtic Name: 2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C12H9ClN6O2 MolecularWeight: 304.69186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN6O2/c13-8-1-3-9(4-2-8)17-12-16-7-10(19(20)21)11(18-12)15-6-5-14/h1-4,7H,6H2,(H2,15,16,17,18)