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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O5S/c1-12(25-15-8-3-2-4-9-15)17(21)24-11-16(20)18-13-6-5-7-14(10-13)19(22)23/h2-10,12H,11H2,1H3,(H,18,20)/t12-/m1/s1