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

Systemtic Name: 2-[[1,3-diethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[(1,3-diethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-4-nitro-phenolate CAS Name: 2-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-4-nitrophenolate IUPAC Name: 2-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-4-nitrophenolate Traditional Name: 2-[(1,3-diethyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-4-nitro-phenolate Formula: C15H14N3O5S- MolecularWeight: 348.35376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(=O)N(C1=S)CC

Isomeric SMILES

CCN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(=O)N(C1=S)CC

InChI

InChI=1S/C15H15N3O5S/c1-3-16-13(20)11(14(21)17(4-2)15(16)24)8-9-7-10(18(22)23)5-6-12(9)19/h5-8,19H,3-4H2,1-2H3/p-1