2-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(4-nitrophenyl)methyl]propanedinitrile

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(4-nitrophenyl)methyl]propanedinitrile Openeye Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(4-nitrophenyl)methyl]propanedinitrile CAS Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(4-nitrophenyl)methyl]propanedinitrile IUPAC Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(4-nitrophenyl)methyl]propanedinitrile Traditional Name: 2-[(3-keto-5-methyl-3-pyrazolin-4-yl)-(4-nitrophenyl)methyl]malononitrile Formula: C14H11N5O3 MolecularWeight: 297.26884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)[N+](=O)[O-])C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)[N+](=O)[O-])C(C#N)C#N

InChI

InChI=1S/C14H11N5O3/c1-8-12(14(20)18-17-8)13(10(6-15)7-16)9-2-4-11(5-3-9)19(21)22/h2-5,10,13H,1H3,(H2,17,18,20)