6-ethyl-2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-ethyl-2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-ethyl-2-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-ethyl-2-[[2-(3-nitroanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-ethyl-2-[2-(3-nitroanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-ethyl-2-[[2-keto-2-(3-nitroanilino)ethyl]thio]pyrimidin-4-olate Formula: C14H13N4O4S- MolecularWeight: 333.34242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H14N4O4S/c1-2-9-7-12(19)17-14(16-9)23-8-13(20)15-10-4-3-5-11(6-10)18(21)22/h3-7H,2,8H2,1H3,(H,15,20)(H,16,17,19)/p-1