(2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O6S/c22-18(20-8-10-26-11-9-20)13-27-19(23)14-6-7-17(16(12-14)21(24)25)28-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2