4-nitro-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]iminomethyl]phenolate

Systemtic Name: 4-nitro-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]iminomethyl]phenolate Openeye Name: 4-nitro-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]iminomethyl]phenolate CAS Name: 4-nitro-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]iminomethyl]phenolate IUPAC Name: 4-nitro-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]iminomethyl]phenolate Traditional Name: 4-nitro-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]iminomethyl]phenolate Formula: C14H8N6O3-2 MolecularWeight: 308.25172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=NN=N[N-]3

Isomeric SMILES

C1=CC(=CC(=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=NN=N[N-]3

InChI

InChI=1S/C14H9N6O3/c21-13-5-4-12(20(22)23)7-10(13)8-15-11-3-1-2-9(6-11)14-16-18-19-17-14/h1-8H,(H-,15,16,17,18,19,21)/q-1/p-1