N-[5-(1-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]-2-methyl-5-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[5-(1-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]-2-methyl-5-nitro-pyrazole-3-carboxamide Openeye Name: N-[5-(1-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]-2-methyl-5-nitro-pyrazole-3-carboxamide CAS Name: N-[5-[(1-cyanoethylamino)-oxomethyl]-1-methyl-3-pyrrolyl]-2-methyl-5-nitro-3-pyrazolecarboxamide IUPAC Name: N-[5-(1-cyanoethylcarbamoyl)-1-methylpyrrol-3-yl]-2-methyl-5-nitropyrazole-3-carboxamide Traditional Name: N-[5-(1-cyanoethylcarbamoyl)-1-methyl-pyrrol-3-yl]-2-methyl-5-nitro-pyrazole-3-carboxamide Formula: C14H15N7O4 MolecularWeight: 345.3134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)NC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=NN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C#N)NC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=NN2C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N7O4/c1-8(6-15)16-13(22)10-4-9(7-19(10)2)17-14(23)11-5-12(21(24)25)18-20(11)3/h4-5,7-8H,1-3H3,(H,16,22)(H,17,23)