2-(4-methylpiperidin-1-yl)-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate

Systemtic Name: 2-(4-methylpiperidin-1-yl)-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 2-(4-methyl-1-piperidyl)-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 2-(4-methylpiperidin-1-yl)-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 2-(4-methylpiperidino)-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C15H17N6O3- MolecularWeight: 329.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC3=NC=NN3)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C15H18N6O3/c1-10-4-6-20(7-5-10)13-3-2-11(21(23)24)8-12(13)14(22)18-15-16-9-17-19-15/h2-3,8-10H,4-7H2,1H3,(H2,16,17,18,19,22)/p-1