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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/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/h3-9,11H,2,10,12H2,1H3,(H,19,21)