N-(4-cyano-2-methyl-pyrazol-3-yl)-3-nitro-benzamide

Systemtic Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-3-nitro-benzamide Openeye Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-3-nitro-benzamide CAS Name: N-(4-cyano-2-methyl-3-pyrazolyl)-3-nitrobenzamide IUPAC Name: N-(4-cyano-2-methylpyrazol-3-yl)-3-nitrobenzamide Traditional Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-3-nitro-benzamide Formula: C12H9N5O3 MolecularWeight: 271.23156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C#N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)C#N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O3/c1-16-11(9(6-13)7-14-16)15-12(18)8-3-2-4-10(5-8)17(19)20/h2-5,7H,1H3,(H,15,18)