4-nitro-5-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)benzene-1,2-dicarbonitrile

Systemtic Name: 4-nitro-5-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)benzene-1,2-dicarbonitrile Openeye Name: 4-nitro-5-(1-oxo-4-phenyl-phthalazin-2-yl)phthalonitrile CAS Name: 4-nitro-5-(1-oxo-4-phenyl-2-phthalazinyl)benzene-1,2-dicarbonitrile IUPAC Name: 4-nitro-5-(1-oxo-4-phenylphthalazin-2-yl)benzene-1,2-dicarbonitrile Traditional Name: 4-(1-keto-4-phenyl-phthalazin-2-yl)-5-nitro-phthalonitrile Formula: C22H11N5O3 MolecularWeight: 393.35444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H11N5O3/c23-12-15-10-19(20(27(29)30)11-16(15)13-24)26-22(28)18-9-5-4-8-17(18)21(25-26)14-6-2-1-3-7-14/h1-11H