[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C18H16N2O5S MolecularWeight: 372.39504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)COC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=O)COC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

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