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

Systemtic Name: 2-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-methyl-2-nitro-anilino)ethyl]thio]pyrimidin-4-olate Formula: C13H11N4O4S- MolecularWeight: 319.31584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC=CC(=N2)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC=CC(=N2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4S/c1-8-2-3-9(10(6-8)17(20)21)15-12(19)7-22-13-14-5-4-11(18)16-13/h2-6H,7H2,1H3,(H,15,19)(H,14,16,18)/p-1