2-[(Z)-(1,3-dimethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-6-methoxy-4-nitro-phenolate

Systemtic Name: 2-[(Z)-(1,3-dimethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[(Z)-(1,3-dimethyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[(Z)-(1,3-dimethyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[(Z)-(1,3-dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[(Z)-(5-keto-1,3-dimethyl-2-thioxo-imidazolidin-4-ylidene)methyl]-6-methoxy-4-nitro-phenolate Formula: C13H12N3O5S- MolecularWeight: 322.31648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CC(=CC(=C2[O-])OC)[N+](=O)[O-])C(=O)N(C1=S)C

Isomeric SMILES

CN1/C(=C\C2=CC(=CC(=C2[O-])OC)[N+](=O)[O-])/C(=O)N(C1=S)C

InChI

InChI=1S/C13H13N3O5S/c1-14-9(12(18)15(2)13(14)22)5-7-4-8(16(19)20)6-10(21-3)11(7)17/h4-6,17H,1-3H3/p-1/b9-5-