2-ethoxy-6-nitro-4-[(E)-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenolate

Systemtic Name: 2-ethoxy-6-nitro-4-[(E)-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenolate Openeye Name: 2-ethoxy-6-nitro-4-[(E)-(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenolate CAS Name: 2-ethoxy-6-nitro-4-[(E)-(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]phenolate IUPAC Name: 2-ethoxy-6-nitro-4-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenolate Traditional Name: 2-ethoxy-4-[(E)-(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]-6-nitro-phenolate Formula: C12H10N3O5S- MolecularWeight: 308.2899

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=O)NC(=S)N2

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/2\C(=O)NC(=S)N2

InChI

InChI=1S/C12H11N3O5S/c1-2-20-9-5-6(4-8(10(9)16)15(18)19)3-7-11(17)14-12(21)13-7/h3-5,16H,2H2,1H3,(H2,13,14,17,21)/p-1/b7-3+