N-(2-methylpropyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-isobutyl-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(2-methylpropyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-methylpropyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-isobutyl-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C11H15N7O3 MolecularWeight: 293.2819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=NN(C=C1)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)C1=NN(C=C1)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H15N7O3/c1-8(2)5-12-10(19)9-3-4-16(14-9)7-17-6-13-11(15-17)18(20)21/h3-4,6,8H,5,7H2,1-2H3,(H,12,19)