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

Systemtic Name: 2-[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C14H13N4O5S- MolecularWeight: 349.34182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC=CC(=N2)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC=CC(=N2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5S/c1-2-23-9-3-4-10(11(7-9)18(21)22)16-13(20)8-24-14-15-6-5-12(19)17-14/h3-7H,2,8H2,1H3,(H,16,20)(H,15,17,19)/p-1