2-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]thio]pyrimidin-4-olate Formula: C13H11N4O5S- MolecularWeight: 335.31524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C13H12N4O5S/c1-22-10-3-2-8(17(20)21)6-9(10)15-12(19)7-23-13-14-5-4-11(18)16-13/h2-6H,7H2,1H3,(H,15,19)(H,14,16,18)/p-1