3-nitro-4-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)benzenecarbonitrile Openeye Name: 3-nitro-4-(1-oxo-4-phenyl-phthalazin-2-yl)benzonitrile CAS Name: 3-nitro-4-(1-oxo-4-phenyl-2-phthalazinyl)benzonitrile IUPAC Name: 3-nitro-4-(1-oxo-4-phenylphthalazin-2-yl)benzonitrile Traditional Name: 4-(1-keto-4-phenyl-phthalazin-2-yl)-3-nitro-benzonitrile Formula: C21H12N4O3 MolecularWeight: 368.34498

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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)[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)[N+](=O)[O-]

InChI

InChI=1S/C21H12N4O3/c22-13-14-10-11-18(19(12-14)25(27)28)24-21(26)17-9-5-4-8-16(17)20(23-24)15-6-2-1-3-7-15/h1-12H