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

Systemtic Name: 2-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]thio]pyrimidin-4-olate Formula: C14H13N4O5S- MolecularWeight: 349.34182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=NC=CC(=N2)[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=NC=CC(=N2)[O-])OC)[N+](=O)[O-]

InChI

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