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

Systemtic Name: 2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-4-bromanyl-6-nitro-phenolate Openeye Name: 4-bromo-2-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-nitro-phenolate CAS Name: 4-bromo-2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-nitrophenolate Traditional Name: 4-bromo-2-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-nitro-phenolate Formula: C11H5BrN3O5S- MolecularWeight: 371.1435

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])C=C2C(=O)NC(=S)NC2=O)Br

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])C=C2C(=O)NC(=S)NC2=O)Br

InChI

InChI=1S/C11H6BrN3O5S/c12-5-1-4(8(16)7(3-5)15(19)20)2-6-9(17)13-11(21)14-10(6)18/h1-3,16H,(H2,13,14,17,18,21)/p-1