N-(5-tert-butyl-1H-pyrazol-3-yl)-3-nitro-N'-prop-2-enyl-benzenecarboximidamide

Systemtic Name: N-(5-tert-butyl-1H-pyrazol-3-yl)-3-nitro-N'-prop-2-enyl-benzenecarboximidamide Openeye Name: N'-allyl-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-nitro-benzamidine CAS Name: N-(5-tert-butyl-1H-pyrazol-3-yl)-3-nitro-N'-prop-2-enylbenzenecarboximidamide IUPAC Name: N-(5-tert-butyl-1H-pyrazol-3-yl)-3-nitro-N'-prop-2-enylbenzenecarboximidamide Traditional Name: N'-allyl-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-nitro-benzamidine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)NC(=NCC=C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)NC(=NCC=C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2/c1-5-9-18-16(12-7-6-8-13(10-12)22(23)24)19-15-11-14(20-21-15)17(2,3)4/h5-8,10-11H,1,9H2,2-4H3,(H2,18,19,20,21)