N-(1-cyanoethyl)-2-methyl-5-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrazole-3-carboxamide

Systemtic Name: N-(1-cyanoethyl)-2-methyl-5-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrazole-3-carboxamide Openeye Name: N-(1-cyanoethyl)-2-methyl-5-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrazole-3-carboxamide CAS Name: N-(1-cyanoethyl)-2-methyl-5-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-3-pyrazolecarboxamide IUPAC Name: N-(1-cyanoethyl)-2-methyl-5-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrazole-3-carboxamide Traditional Name: N-(1-cyanoethyl)-2-methyl-5-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]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(=NN1C)NC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C#N)NC(=O)C1=CC(=NN1C)NC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

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