[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 3-nitrobenzoate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5S/c1-2-10-26-16-9-4-3-8-15(16)19-17(21)12-25-18(22)13-6-5-7-14(11-13)20(23)24/h2-9,11H,1,10,12H2,(H,19,21)