4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-5-yl)amino]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-5-yl)amino]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[(6-amino-4-oxo-1H-pyrimidin-5-yl)amino]-5-nitro-phthalonitrile CAS Name: 4-[(6-amino-4-oxo-1H-pyrimidin-5-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[(6-amino-4-oxo-1H-pyrimidin-5-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[(6-amino-4-keto-1H-pyrimidin-5-yl)amino]-5-nitro-phthalonitrile Formula: C12H7N7O3 MolecularWeight: 297.22908

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1NC2=C(NC=NC2=O)N)[N+](=O)[O-])C#N)C#N

Isomeric SMILES

C1=C(C(=CC(=C1NC2=C(NC=NC2=O)N)[N+](=O)[O-])C#N)C#N

InChI

InChI=1S/C12H7N7O3/c13-3-6-1-8(9(19(21)22)2-7(6)4-14)18-10-11(15)16-5-17-12(10)20/h1-2,5,18H,(H3,15,16,17,20)