N-(5-bromanylpyridin-2-yl)-5-nitro-2-(phenylmethyl)-1H-pyrazol-2-ium-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-5-nitro-2-(phenylmethyl)-1H-pyrazol-2-ium-3-carboxamide Openeye Name: 2-benzyl-N-(5-bromo-2-pyridyl)-5-nitro-1H-pyrazol-2-ium-3-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-5-nitro-2-(phenylmethyl)-1H-pyrazol-2-ium-3-carboxamide IUPAC Name: 2-benzyl-N-(5-bromopyridin-2-yl)-5-nitro-1H-pyrazol-2-ium-3-carboxamide Traditional Name: 2-benzyl-N-(5-bromo-2-pyridyl)-5-nitro-1H-pyrazol-2-ium-3-carboxamide Formula: C16H13BrN5O3+ MolecularWeight: 403.21012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(C=C(N2)[N+](=O)[O-])C(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(C=C(N2)[N+](=O)[O-])C(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C16H12BrN5O3/c17-12-6-7-14(18-9-12)19-16(23)13-8-15(22(24)25)20-21(13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19,23)/p+1