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

Systemtic Name: 2-methoxy-4-[(E)-[1-methyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(E)-(1-methyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-nitrophenolate Traditional Name: 4-[(E)-(4,6-diketo-1-methyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate Formula: C13H10N3O6S- MolecularWeight: 336.3

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C(=O)NC1=S

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])/C(=O)NC1=S

InChI

InChI=1S/C13H11N3O6S/c1-15-12(19)7(11(18)14-13(15)23)3-6-4-8(16(20)21)10(17)9(5-6)22-2/h3-5,17H,1-2H3,(H,14,18,23)/p-1/b7-3+