4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C15H14N7O3- MolecularWeight: 340.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=NC3=NC=NN3)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=NC3=NC=NN3)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C15H15N7O3/c1-9-13(22(24)25)10(2)21(20-9)7-11-3-5-12(6-4-11)14(23)18-15-16-8-17-19-15/h3-6,8H,7H2,1-2H3,(H2,16,17,18,19,23)/p-1