N-(1-ethylpyrazol-4-yl)-2-iodanyl-5-nitro-benzamide

Systemtic Name: N-(1-ethylpyrazol-4-yl)-2-iodanyl-5-nitro-benzamide Openeye Name: N-(1-ethylpyrazol-4-yl)-2-iodo-5-nitro-benzamide CAS Name: N-(1-ethyl-4-pyrazolyl)-2-iodo-5-nitrobenzamide IUPAC Name: N-(1-ethylpyrazol-4-yl)-2-iodo-5-nitrobenzamide Traditional Name: N-(1-ethylpyrazol-4-yl)-2-iodo-5-nitro-benzamide Formula: C12H11IN4O3 MolecularWeight: 386.14521

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])I

Isomeric SMILES

CCN1C=C(C=N1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])I

InChI

InChI=1S/C12H11IN4O3/c1-2-16-7-8(6-14-16)15-12(18)10-5-9(17(19)20)3-4-11(10)13/h3-7H,2H2,1H3,(H,15,18)