4-[(1S)-2,2-dicyano-1-(3-nitrophenyl)ethyl]-5-methyl-1H-pyrazol-3-olate

Systemtic Name: 4-[(1S)-2,2-dicyano-1-(3-nitrophenyl)ethyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(1S)-2,2-dicyano-1-(3-nitrophenyl)ethyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(1S)-2,2-dicyano-1-(3-nitrophenyl)ethyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(1S)-2,2-dicyano-1-(3-nitrophenyl)ethyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(1S)-2,2-dicyano-1-(3-nitrophenyl)ethyl]-5-methyl-1H-pyrazol-3-olate Formula: C14H10N5O3- MolecularWeight: 296.2609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=NN1)[O-])[C@H](C2=CC(=CC=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)9-3-2-4-11(5-9)19(21)22/h2-5,10,13H,1H3,(H2,17,18,20)/p-1/t13-/m1/s1