[4-(4-nitrophenyl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-(1H-1,2,4-triazol-5-yl)methanone IUPAC Name: [4-(4-nitrophenyl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone Traditional Name: [4-(4-nitrophenyl)piperazino]-(1H-1,2,4-triazol-5-yl)methanone Formula: C13H14N6O3 MolecularWeight: 302.28866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=NC=NN3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=NC=NN3

InChI

InChI=1S/C13H14N6O3/c20-13(12-14-9-15-16-12)18-7-5-17(6-8-18)10-1-3-11(4-2-10)19(21)22/h1-4,9H,5-8H2,(H,14,15,16)