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

Systemtic Name: 2-[[1,3-diethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[(1,3-diethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[(1,3-diethyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-methoxy-4-nitro-phenolate Formula: C16H16N3O6S- MolecularWeight: 378.37974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O6S/c1-4-17-14(21)11(15(22)18(5-2)16(17)26)7-9-6-10(19(23)24)8-12(25-3)13(9)20/h6-8,20H,4-5H2,1-3H3/p-1