[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c20-16(18-14-8-4-5-9-15(14)19(22)23)12-24-17(21)10-11-25-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,20)