[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C19H14N2O5S MolecularWeight: 382.38986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CN3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O5S/c22-17(15-7-4-10-20-15)12-26-19(23)13-8-9-18(16(11-13)21(24)25)27-14-5-2-1-3-6-14/h1-11,20H,12H2