2-[1-(3-nitrophenyl)-2-oxidanylidene-5-pyrimidin-2-yl-pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 2-[1-(3-nitrophenyl)-2-oxidanylidene-5-pyrimidin-2-yl-pyridin-3-yl]benzenecarbonitrile Openeye Name: 2-[1-(3-nitrophenyl)-2-oxo-5-pyrimidin-2-yl-3-pyridyl]benzonitrile CAS Name: 2-[1-(3-nitrophenyl)-2-oxo-5-(2-pyrimidinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-[1-(3-nitrophenyl)-2-oxo-5-pyrimidin-2-ylpyridin-3-yl]benzonitrile Traditional Name: 2-[2-keto-1-(3-nitrophenyl)-5-(2-pyrimidyl)-3-pyridyl]benzonitrile Formula: C22H13N5O3 MolecularWeight: 395.37032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC(=CN(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC(=CN(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C22H13N5O3/c23-13-15-5-1-2-8-19(15)20-11-16(21-24-9-4-10-25-21)14-26(22(20)28)17-6-3-7-18(12-17)27(29)30/h1-12,14H