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3-[4-[4-(azanylidenemethylidene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one

3-[4-[4-(azanylidenemethylidene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one

Systemtic Name:3-[4-[4-(azanylidenemethylidene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
Openeye Name:3-[4-[4-(iminomethylene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CAS Name:3-[4-[4-(iminomethylidene)-1-piperazin-4-iumyl]-3-nitrophenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
IUPAC Name:3-[4-[4-(iminomethylidene)piperazin-4-ium-1-yl]-3-nitrophenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
Traditional Name:3-[4-[4-(iminomethylene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
Formula: C14H16N7O3+
MolecularWeight: 330.32194
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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C=N)CCN1C2=C(C=C(C=C2)C3=NCC(=O)NN3)[N+](=O)[O-]


Isomeric SMILES

C1C[N+](=C=N)CCN1C2=C(C=C(C=C2)C3=NCC(=O)NN3)[N+](=O)[O-]


InChI

InChI=1S/C14H15N7O3/c15-9-19-3-5-20(6-4-19)11-2-1-10(7-12(11)21(23)24)14-16-8-13(22)17-18-14/h1-2,7,15H,3-6,8H2,(H-,16,17,18,22)/p+1


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