2-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]propanedinitrile Openeye Name: 2-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]propanedinitrile CAS Name: 2-[[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]propanedinitrile IUPAC Name: 2-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile Traditional Name: 2-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]malononitrile Formula: C20H13N5O3 MolecularWeight: 371.34892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O3/c1-28-19-8-7-15(10-18(19)25(26)27)20-16(9-14(11-21)12-22)13-24(23-20)17-5-3-2-4-6-17/h2-10,13H,1H3