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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=CC=C3)[N+](=O)[O-])C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=CC=C3)[N+](=O)[O-])C(C#N)C#N

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/h2-10,15,19,23H,1H3