2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile Openeye Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile CAS Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile IUPAC Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)-(2-nitrophenyl)methyl]malononitrile Formula: C20H15N5O3 MolecularWeight: 373.3648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2=CC=CC=C2[N+](=O)[O-])C(C#N)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1C(C2=CC=CC=C2[N+](=O)[O-])C(C#N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H15N5O3/c1-13-18(20(26)24(23-13)15-7-3-2-4-8-15)19(14(11-21)12-22)16-9-5-6-10-17(16)25(27)28/h2-10,14,18-19H,1H3