5-[2-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene

Systemtic Name: 5-[2-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene Openeye Name: 5-[2-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene CAS Name: 5-[2-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene IUPAC Name: 5-[2-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene Traditional Name: 5-[2-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene Formula: C12H10N7O2- MolecularWeight: 284.2535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)[N+](=O)[O-])C3=NN=N[N-]3)C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)[N+](=O)[O-])C3=NN=N[N-]3)C

InChI

InChI=1S/C12H10N7O2/c1-7-5-8(2)18(15-7)11-6-9(19(20)21)3-4-10(11)12-13-16-17-14-12/h3-6H,1-2H3/q-1