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

Systemtic Name: 2-[[3-methyl-5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-4-yl]-(3-nitrophenyl)methyl]propanedinitrile Openeye Name: 2-[(1-benzyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile CAS Name: 2-[[3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]-(3-nitrophenyl)methyl]propanedinitrile IUPAC Name: 2-[(1-benzyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile Traditional Name: 2-[(1-benzyl-5-keto-3-methyl-2-pyrazolin-4-yl)-(3-nitrophenyl)methyl]malononitrile Formula: C21H17N5O3 MolecularWeight: 387.39138

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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)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1C(C2=CC(=CC=C2)[N+](=O)[O-])C(C#N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H17N5O3/c1-14-19(21(27)25(24-14)13-15-6-3-2-4-7-15)20(17(11-22)12-23)16-8-5-9-18(10-16)26(28)29/h2-10,17,19-20H,13H2,1H3