1-nitro-2-[[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]guanidine

Systemtic Name: 1-nitro-2-[[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]guanidine Openeye Name: 2-[[(E)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-1-nitro-guanidine CAS Name: 2-[[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-1-nitroguanidine IUPAC Name: 2-[[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-1-nitroguanidine Traditional Name: 2-[[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-1-nitro-guanidine Formula: C8H9N5O4 MolecularWeight: 239.18816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNN=C(N)N[N+](=O)[O-])C(=CC1=O)O

Isomeric SMILES

C1=C/C(=C\NN=C(N)N[N+](=O)[O-])/C(=CC1=O)O

InChI

InChI=1S/C8H9N5O4/c9-8(12-13(16)17)11-10-4-5-1-2-6(14)3-7(5)15/h1-4,10,15H,(H3,9,11,12)/b5-4+