5-azanyl-1-tert-butyl-3-(4-nitrophenyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-tert-butyl-3-(4-nitrophenyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-tert-butyl-3-(4-nitrophenyl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-tert-butyl-3-(4-nitrophenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-tert-butyl-3-(4-nitrophenyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-tert-butyl-3-(4-nitrophenyl)pyrazole-4-carbonitrile Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C#N)N

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C14H15N5O2/c1-14(2,3)18-13(16)11(8-15)12(17-18)9-4-6-10(7-5-9)19(20)21/h4-7H,16H2,1-3H3