[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (2-indolin-1-yl-2-oxo-ethyl) 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (2-indolin-1-yl-2-keto-ethyl) ester Formula: C23H18N2O5S MolecularWeight: 434.46442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O5S/c26-22(24-13-12-16-6-4-5-9-19(16)24)15-30-23(27)17-10-11-21(20(14-17)25(28)29)31-18-7-2-1-3-8-18/h1-11,14H,12-13,15H2