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

Systemtic Name: 3-nitro-4-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 3-nitro-4-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 3-nitro-4-(1-pyrrolidinyl)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 3-nitro-4-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 3-nitro-4-pyrrolidino-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C13H13N6O3- MolecularWeight: 301.28072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=NC3=NC=NN3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=NC3=NC=NN3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N6O3/c20-12(16-13-14-8-15-17-13)9-3-4-10(11(7-9)19(21)22)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2,(H2,14,15,16,17,20)/p-1