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

Systemtic Name: 4-[[1,3-dimethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(1,3-dimethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(4,6-diketo-1,3-dimethyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-6-nitro-phenolate Formula: C15H14N3O6S- MolecularWeight: 364.35316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=O)N(C(=S)N(C2=O)C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=O)N(C(=S)N(C2=O)C)C

InChI

InChI=1S/C15H15N3O6S/c1-4-24-11-7-8(6-10(12(11)19)18(22)23)5-9-13(20)16(2)15(25)17(3)14(9)21/h5-7,19H,4H2,1-3H3/p-1