2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-ylsulfanyl)-5-nitro-benzoate

Systemtic Name: 2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-ylsulfanyl)-5-nitro-benzoate Openeye Name: 2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-ylsulfanyl)-5-nitro-benzoate CAS Name: 2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-ylthio)-5-nitrobenzoate IUPAC Name: 2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-ylsulfanyl)-5-nitrobenzoate Traditional Name: 2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-ylthio)-5-nitro-benzoate Formula: C9H4N4O4S-2 MolecularWeight: 264.21746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)[O-])SC2=NN=C[N-]2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)[O-])SC2=NN=C[N-]2

InChI

InChI=1S/C9H6N4O4S/c14-8(15)6-3-5(13(16)17)1-2-7(6)18-9-10-4-11-12-9/h1-4H,(H2,10,11,12,14,15)/p-2