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

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-morpholino-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 4-(4-morpholinyl)-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 4-morpholin-4-yl-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-morpholino-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C13H13N6O4- MolecularWeight: 317.28012

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=NC3=NC=NN3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=NC3=NC=NN3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N6O4/c20-12(16-13-14-8-15-17-13)9-1-2-10(11(7-9)19(21)22)18-3-5-23-6-4-18/h1-2,7-8H,3-6H2,(H2,14,15,16,17,20)/p-1