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

Systemtic Name: 2-[[3-methylidene-5-oxidanylidene-1-(phenylmethyl)pyrazolidin-4-yl]-(4-nitrophenyl)methyl]propanedinitrile Openeye Name: 2-[(1-benzyl-3-methylene-5-oxo-pyrazolidin-4-yl)-(4-nitrophenyl)methyl]propanedinitrile CAS Name: 2-[[3-methylene-5-oxo-1-(phenylmethyl)-4-pyrazolidinyl]-(4-nitrophenyl)methyl]propanedinitrile IUPAC Name: 2-[(1-benzyl-3-methylidene-5-oxopyrazolidin-4-yl)-(4-nitrophenyl)methyl]propanedinitrile Traditional Name: 2-[(1-benzyl-5-keto-3-methylene-pyrazolidin-4-yl)-(4-nitrophenyl)methyl]malononitrile Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(=O)N(N1)CC2=CC=CC=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])C(C#N)C#N

Isomeric SMILES

C=C1C(C(=O)N(N1)CC2=CC=CC=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])C(C#N)C#N

InChI

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