1-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[(1,3-diphenyl-4-pyrazolyl)methyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-2-keto-5-nitro-nicotinonitrile Formula: C22H15N5O3 MolecularWeight: 397.3862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H15N5O3/c23-12-17-11-20(27(29)30)15-25(22(17)28)13-18-14-26(19-9-5-2-6-10-19)24-21(18)16-7-3-1-4-8-16/h1-11,14-15H,13H2