[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(N-methylanilino)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(N-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-methylanilino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-(N-methylanilino)ethyl] ester Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O5S/c1-15(10-5-3-2-4-6-10)12(17)9-21-14(18)11-7-8-13(22-11)16(19)20/h2-8H,9H2,1H3