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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N7O3/c1-3-8(2)13-10(19)9-4-5-16(14-9)7-17-6-12-11(15-17)18(20)21/h4-6,8H,3,7H2,1-2H3,(H,13,19)