N-(5-azanyl-3-tert-butyl-4-chloranyl-pyrazol-1-yl)-3-nitro-benzamide

Systemtic Name: N-(5-azanyl-3-tert-butyl-4-chloranyl-pyrazol-1-yl)-3-nitro-benzamide Openeye Name: N-(5-amino-3-tert-butyl-4-chloro-pyrazol-1-yl)-3-nitro-benzamide CAS Name: N-(5-amino-3-tert-butyl-4-chloro-1-pyrazolyl)-3-nitrobenzamide IUPAC Name: N-(5-amino-3-tert-butyl-4-chloropyrazol-1-yl)-3-nitrobenzamide Traditional Name: N-(5-amino-3-tert-butyl-4-chloro-pyrazol-1-yl)-3-nitro-benzamide Formula: C14H16ClN5O3 MolecularWeight: 337.76154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1Cl)N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1Cl)N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16ClN5O3/c1-14(2,3)11-10(15)12(16)19(17-11)18-13(21)8-5-4-6-9(7-8)20(22)23/h4-7H,16H2,1-3H3,(H,18,21)