2-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H13N4O5S- MolecularWeight: 349.34182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)[O-]

InChI

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