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

Systemtic Name: 4-[(E)-[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-(4,6-dioxo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-(4,6-diketo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate Formula: C18H12N3O6S- MolecularWeight: 398.36938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13N3O6S/c1-27-14-9-10(8-13(15(14)22)21(25)26)7-12-16(23)19-18(28)20(17(12)24)11-5-3-2-4-6-11/h2-9,22H,1H3,(H,19,23,28)/p-1/b12-7+