4-chloranyl-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)-3-nitro-benzamide CAS Name: 4-chloro-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)-3-nitro-benzamide Formula: C12H12ClN4O3+ MolecularWeight: 295.70168

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CN1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC[N+]1=C(C=CN1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H11ClN4O3/c1-2-16-11(5-6-14-16)15-12(18)8-3-4-9(13)10(7-8)17(19)20/h3-7H,2H2,1H3,(H,14,15,18)/p+1