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

Systemtic Name: 2-[(R)-[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]-(3-nitrophenyl)methyl]propanedinitrile Openeye Name: 2-[(R)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-(3-nitrophenyl)methyl]propanedinitrile CAS Name: 2-[(R)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-(3-nitrophenyl)methyl]propanedinitrile IUPAC Name: 2-[(R)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-(3-nitrophenyl)methyl]propanedinitrile Traditional Name: 2-[(R)-[(4R)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]-(3-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)[C@@H]1[C@H](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)16-7-3-2-4-8-16)19(15(11-21)12-22)14-6-5-9-17(10-14)25(27)28/h2-10,15,18-19H,1H3/t18-,19+/m0/s1