4-[[1,3-dimethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[[1,3-dimethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(1,3-dimethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-nitro-phenolate CAS Name: 4-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-nitrophenolate IUPAC Name: 4-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-nitrophenolate Traditional Name: 4-[(4,6-diketo-1,3-dimethyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-nitro-phenolate Formula: C13H10N3O5S- MolecularWeight: 320.3006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)N(C1=S)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)N(C1=S)C

InChI

InChI=1S/C13H11N3O5S/c1-14-11(18)8(12(19)15(2)13(14)22)5-7-3-4-10(17)9(6-7)16(20)21/h3-6,17H,1-2H3/p-1